2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane

C115H163ClF6N10O7S3 — CID 159663675

IUPAC2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane
SMILESCC(C)C1(C(F)(F)F)CC1.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc(F)c1F.CC(C)c1ccccc1S(C)(=O)=O.COC(=O)c1cnc(C(C)C)c(C)c1.COc1cc(C(C)C)ccn1.COc1ccc(C(C)C)cn1.CSc1nccc(C(C)C)n1.Cc1cc(C(C)C)ccn1.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C)c(C(C)C)s1
InChIInChI=1S/C11H15NO2.C10H14O2S.C9H10ClF.C9H10F2.2C9H13NO.3C9H13N.C8H12N2S.C8H13NO.C8H13NS.C7H11F3/c1-7(2)10-8(3)5-9(6-12-10)11(13)14-4;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-6(2)8-4-3-7(11)5-9(8)10;1-6(2)7-4-3-5-8(10)9(7)11;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-8(3)5-4-6-10-9;1-6(2)7-4-5-9-8(10-7)11-3;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)6(3-4-6)7(8,9)10/h5-7H,1-4H3;4-8H,1-3H3;2*3-6H,1-2H3;2*4-7H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;2*5H,1-4H3;5H,3-4H2,1-2H3
InChIKeyMTDBWNBHJVAUGC-UHFFFAOYSA-N
MW2043.27 g/mol
LogP33.78
Rot. Bonds18

About 2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane

2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane (PubChem CID 159663675) has the molecular formula C115H163ClF6N10O7S3 and a molecular weight of 2043.27 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane
PubChem CID159663675
Molecular FormulaC115H163ClF6N10O7S3
Molecular Weight2043.27 g/mol
Exact Mass2041.15
IUPAC Name2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane
SMILESCC(C)C1(C(F)(F)F)CC1.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc(F)c1F.CC(C)c1ccccc1S(C)(=O)=O.COC(=O)c1cnc(C(C)C)c(C)c1.COc1cc(C(C)C)ccn1.COc1ccc(C(C)C)cn1.CSc1nccc(C(C)C)n1.Cc1cc(C(C)C)ccn1.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C)c(C(C)C)s1
InChIInChI=1S/C11H15NO2.C10H14O2S.C9H10ClF.C9H10F2.2C9H13NO.3C9H13N.C8H12N2S.C8H13NO.C8H13NS.C7H11F3/c1-7(2)10-8(3)5-9(6-12-10)11(13)14-4;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-6(2)8-4-3-7(11)5-9(8)10;1-6(2)7-4-3-5-8(10)9(7)11;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-8(3)5-4-6-10-9;1-6(2)7-4-5-9-8(10-7)11-3;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)6(3-4-6)7(8,9)10/h5-7H,1-4H3;4-8H,1-3H3;2*3-6H,1-2H3;2*4-7H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;2*5H,1-4H3;5H,3-4H2,1-2H3
InChIKeyMTDBWNBHJVAUGC-UHFFFAOYSA-N
XLogP33.78
TPSA220.94 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002043.27
LogP ≤ 533.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butyl-5-chloropyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 159739834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane (CID 159663675) is 2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane is CC(C)C1(C(F)(F)F)CC1.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc(F)c1F.CC(C)c1ccccc1S(C)(=O)=O.COC(=O)c1cnc(C(C)C)c(C)c1.COc1cc(C(C)C)ccn1.COc1ccc(C(C)C)cn1.CSc1nccc(C(C)C)n1.Cc1cc(C(C)C)ccn1.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C)c(C(C)C)s1.
What is the InChIKey of 2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane?
The InChIKey is MTDBWNBHJVAUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C10H14O2S.C9H10ClF.C9H10F2.2C9H13NO.3C9H13N.C8H12N2S.C8H13NO.C8H13NS.C7H11F3/c1-7(2)10-8(3)5-9(6-12-10)11(13)14-4;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-6(2)8-4-3-7(11)5-9(8)10;1-6(2)7-4-3-5-8(10)9(7)11;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-8(3)5-4-6-10-9;1-6(2)7-4-5-9-8(10-7)11-3;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)6(3-4-6)7(8,9)10/h5-7H,1-4H3;4-8H,1-3H3;2*3-6H,1-2H3;2*4-7H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;2*5H,1-4H3;5H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane?
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane has a molecular weight of 2043.27 g/mol, XLogP of 33.78, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 5-methyl-6-propan-2-ylpyridine-3-carboxylate;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methylsulfanyl-4-propan-2-ylpyrimidine;1-methylsulfonyl-2-propan-2-ylbenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 159663675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).