1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole

C270H397ClF6N34O9 — CID 165079092

IUPAC1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole
SMILESCC(C)c1c(F)cncc1F.CC(C)c1cc[nH]c1.CC(C)c1ccc(Cl)c(F)c1.CC(C)c1ccc(F)cn1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc(=O)[nH]1.CC(C)c1ccccn1.CC(C)c1cccn(C)c1=O.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccncc1F.CC(C)c1ccncn1.CC(C)c1cncc(F)c1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)n1ccccc1=O.Cc1[nH]ccc1C(C)C.Cc1c(C(C)C)ccn1C.Cc1c(C(C)C)cn(C)c1C.Cc1cc(C(C)C)c(C)n1C.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)cn1C.Cc1cc(C(C)C)nc(C)n1.Cc1ccc(C(C)C)o1.Cc1cccn(C(C)C)c1=O.Cc1ccoc1C(C)C.Cc1cn(C)c(C)c1C(C)C.Cc1cn(C)cc1C(C)C.Cc1coc(C(C)C)c1
InChIInChI=1S/3C10H17N.C9H10ClF.C9H14N2.2C9H13NO.3C9H15N.C8H9F2N.3C8H10FN.3C8H11NO.3C8H13N.3C8H11N.3C8H12O.5C7H10N2.C7H11N.C7H10O/c1-7(2)10-6-11(5)9(4)8(10)3;1-7(2)10-8(3)6-11(5)9(10)4;1-7(2)10-6-8(3)11(5)9(10)4;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)9-5-7(3)10-8(4)11-9;1-7(2)8-5-4-6-10(3)9(8)11;1-7(2)10-6-4-5-8(3)9(10)11;1-7(2)9-6-10(4)5-8(9)3;1-7(2)9-5-8(3)10(4)6-9;1-7(2)9-5-6-10(4)8(9)3;1-5(2)8-6(9)3-11-4-7(8)10;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-10-5-8(7)9;1-6(2)8-4-3-7(9)5-10-8;1-7(2)9-6-4-3-5-8(9)10;1-6(2)7-4-3-5-9-8(7)10;1-6(2)7-4-3-5-8(10)9-7;1-6(2)8-4-7(3)9-5-8;1-7(2)8-4-5-9(3)6-8;1-6(2)8-4-5-9-7(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3*6-7H,1-5H3;3-6H,1-2H3;5-6H,1-4H3;2*4-7H,1-3H3;3*5-7H,1-4H3;3-5H,1-2H3;3*3-6H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3,(H,9,10);4-6,9H,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;3*3-7H,1-2H3;3*4-6H,1-3H3;5*3-6H,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3
InChIKeyUUYUJEOBZMJPSB-UHFFFAOYSA-N
MW4412.82 g/mol
LogP73.01
Rot. Bonds33

About 1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole

1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole (PubChem CID 165079092) has the molecular formula C270H397ClF6N34O9 and a molecular weight of 4412.82 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole
PubChem CID165079092
Molecular FormulaC270H397ClF6N34O9
Molecular Weight4412.82 g/mol
Exact Mass4409.12
IUPAC Name1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole
SMILESCC(C)c1c(F)cncc1F.CC(C)c1cc[nH]c1.CC(C)c1ccc(Cl)c(F)c1.CC(C)c1ccc(F)cn1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc(=O)[nH]1.CC(C)c1ccccn1.CC(C)c1cccn(C)c1=O.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccncc1F.CC(C)c1ccncn1.CC(C)c1cncc(F)c1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)n1ccccc1=O.Cc1[nH]ccc1C(C)C.Cc1c(C(C)C)ccn1C.Cc1c(C(C)C)cn(C)c1C.Cc1cc(C(C)C)c(C)n1C.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)cn1C.Cc1cc(C(C)C)nc(C)n1.Cc1ccc(C(C)C)o1.Cc1cccn(C(C)C)c1=O.Cc1ccoc1C(C)C.Cc1cn(C)c(C)c1C(C)C.Cc1cn(C)cc1C(C)C.Cc1coc(C(C)C)c1
InChIInChI=1S/3C10H17N.C9H10ClF.C9H14N2.2C9H13NO.3C9H15N.C8H9F2N.3C8H10FN.3C8H11NO.3C8H13N.3C8H11N.3C8H12O.5C7H10N2.C7H11N.C7H10O/c1-7(2)10-6-11(5)9(4)8(10)3;1-7(2)10-8(3)6-11(5)9(10)4;1-7(2)10-6-8(3)11(5)9(10)4;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)9-5-7(3)10-8(4)11-9;1-7(2)8-5-4-6-10(3)9(8)11;1-7(2)10-6-4-5-8(3)9(10)11;1-7(2)9-6-10(4)5-8(9)3;1-7(2)9-5-8(3)10(4)6-9;1-7(2)9-5-6-10(4)8(9)3;1-5(2)8-6(9)3-11-4-7(8)10;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-10-5-8(7)9;1-6(2)8-4-3-7(9)5-10-8;1-7(2)9-6-4-3-5-8(9)10;1-6(2)7-4-3-5-9-8(7)10;1-6(2)7-4-3-5-8(10)9-7;1-6(2)8-4-7(3)9-5-8;1-7(2)8-4-5-9(3)6-8;1-6(2)8-4-5-9-7(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3*6-7H,1-5H3;3-6H,1-2H3;5-6H,1-4H3;2*4-7H,1-3H3;3*5-7H,1-4H3;3-5H,1-2H3;3*3-6H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3,(H,9,10);4-6,9H,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;3*3-7H,1-2H3;3*4-6H,1-3H3;5*3-6H,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3
InChIKeyUUYUJEOBZMJPSB-UHFFFAOYSA-N
XLogP73.01
TPSA511.07 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004412.82
LogP ≤ 573.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze 1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole?
The IUPAC name of 1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole (CID 165079092) is 1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole.
What is the SMILES notation for 1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole?
The canonical SMILES for 1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole is CC(C)c1c(F)cncc1F.CC(C)c1cc[nH]c1.CC(C)c1ccc(Cl)c(F)c1.CC(C)c1ccc(F)cn1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc(=O)[nH]1.CC(C)c1ccccn1.CC(C)c1cccn(C)c1=O.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccncc1F.CC(C)c1ccncn1.CC(C)c1cncc(F)c1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)n1ccccc1=O.Cc1[nH]ccc1C(C)C.Cc1c(C(C)C)ccn1C.Cc1c(C(C)C)cn(C)c1C.Cc1cc(C(C)C)c(C)n1C.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)cn1C.Cc1cc(C(C)C)nc(C)n1.Cc1ccc(C(C)C)o1.Cc1cccn(C(C)C)c1=O.Cc1ccoc1C(C)C.Cc1cn(C)c(C)c1C(C)C.Cc1cn(C)cc1C(C)C.Cc1coc(C(C)C)c1.
What is the InChIKey of 1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole?
The InChIKey is UUYUJEOBZMJPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H17N.C9H10ClF.C9H14N2.2C9H13NO.3C9H15N.C8H9F2N.3C8H10FN.3C8H11NO.3C8H13N.3C8H11N.3C8H12O.5C7H10N2.C7H11N.C7H10O/c1-7(2)10-6-11(5)9(4)8(10)3;1-7(2)10-8(3)6-11(5)9(10)4;1-7(2)10-6-8(3)11(5)9(10)4;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)9-5-7(3)10-8(4)11-9;1-7(2)8-5-4-6-10(3)9(8)11;1-7(2)10-6-4-5-8(3)9(10)11;1-7(2)9-6-10(4)5-8(9)3;1-7(2)9-5-8(3)10(4)6-9;1-7(2)9-5-6-10(4)8(9)3;1-5(2)8-6(9)3-11-4-7(8)10;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-10-5-8(7)9;1-6(2)8-4-3-7(9)5-10-8;1-7(2)9-6-4-3-5-8(9)10;1-6(2)7-4-3-5-9-8(7)10;1-6(2)7-4-3-5-8(10)9-7;1-6(2)8-4-7(3)9-5-8;1-7(2)8-4-5-9(3)6-8;1-6(2)8-4-5-9-7(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3*6-7H,1-5H3;3-6H,1-2H3;5-6H,1-4H3;2*4-7H,1-3H3;3*5-7H,1-4H3;3-5H,1-2H3;3*3-6H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3,(H,9,10);4-6,9H,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;3*3-7H,1-2H3;3*4-6H,1-3H3;5*3-6H,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3.
What are the key properties of 1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole?
1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole has a molecular weight of 4412.82 g/mol, XLogP of 73.01, 33 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-propan-2-ylbenzene;3,5-difluoro-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyridin-2-one;3-methyl-1-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole is sourced from PubChem (CID 165079092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).