1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene

C243H317Br5Cl5F22IN2 — CID 158533804

IUPAC1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)C1CCCCC1.CC(C)c1cc(F)c(F)c(Br)c1.CC(C)c1ccc(F)c(Cl)c1F.CC(C)c1cccc(Br)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc(I)c1.CC(C)c1ccccc1.CC(C)c1ccnc(Cl)c1F.CC(C)c1ccncc1.CC1CCCC(C(C)C)C1.CCc1cccc(C(C)C)c1.Cc1c(F)ccc(C(C)C)c1Cl.Cc1c(F)ccc(C(C)C)c1F.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)cc(F)c1F.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccc1F.Cc1cc(F)c(Br)cc1C(C)C.Cc1cc(F)c(Br)cc1C(C)C.Cc1cc(F)c(Cl)cc1C(C)C.Cc1ccc(Br)cc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)c1F
InChIInChI=1S/C11H15F.2C11H16.2C10H12BrF.C10H13Br.2C10H12ClF.C10H13Cl.C10H11F3.3C10H12F2.3C10H13F.C10H20.C9H9BrF2.C9H11Br.C9H9ClF2.C9H11I.C9H18.C9H12.C8H9ClFN.C8H11N/c1-7(2)10-5-8(3)11(12)9(4)6-10;1-8(2)11-7-9(3)5-6-10(11)4;1-4-10-6-5-7-11(8-10)9(2)3;2*1-6(2)8-5-9(11)10(12)4-7(8)3;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-5-9(11)10(12)4-7(8)3;1-6(2)8-4-5-9(12)7(3)10(8)11;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-6(2)8-4-7(3)10(12)9(11)5-8;1-6(2)8-4-5-9(11)7(3)10(8)12;1-7(2)8-4-3-5-9(6-8)10(11)12;2*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-4-5-8(3)10(9)11;1-8(2)10-6-4-5-9(3)7-10;1-5(2)6-3-7(10)9(12)8(11)4-6;1-7(2)8-4-3-5-9(10)6-8;1-5(2)6-3-4-7(11)8(10)9(6)12;1-7(2)8-4-3-5-9(10)6-8;2*1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-11-8(9)7(6)10;1-7(2)8-3-5-9-6-4-8/h5-7H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;2*4-6H,1-3H3;3-7,10H,1-2H3;3*4-7H,1-3H3;8-10H,4-7H2,1-3H3;3-5H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3-7H,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3-7H,1-2H3
InChIKeyHNRVBPCAQSYQFX-UHFFFAOYSA-N
MW4387.87 g/mol
LogP87.31
Rot. Bonds27

About 1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene

1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 158533804) has the molecular formula C243H317Br5Cl5F22IN2 and a molecular weight of 4387.87 g/mol. Its IUPAC name is 1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID158533804
Molecular FormulaC243H317Br5Cl5F22IN2
Molecular Weight4387.87 g/mol
Exact Mass4377.79
IUPAC Name1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)C1CCCCC1.CC(C)c1cc(F)c(F)c(Br)c1.CC(C)c1ccc(F)c(Cl)c1F.CC(C)c1cccc(Br)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc(I)c1.CC(C)c1ccccc1.CC(C)c1ccnc(Cl)c1F.CC(C)c1ccncc1.CC1CCCC(C(C)C)C1.CCc1cccc(C(C)C)c1.Cc1c(F)ccc(C(C)C)c1Cl.Cc1c(F)ccc(C(C)C)c1F.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)cc(F)c1F.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccc1F.Cc1cc(F)c(Br)cc1C(C)C.Cc1cc(F)c(Br)cc1C(C)C.Cc1cc(F)c(Cl)cc1C(C)C.Cc1ccc(Br)cc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)c1F
InChIInChI=1S/C11H15F.2C11H16.2C10H12BrF.C10H13Br.2C10H12ClF.C10H13Cl.C10H11F3.3C10H12F2.3C10H13F.C10H20.C9H9BrF2.C9H11Br.C9H9ClF2.C9H11I.C9H18.C9H12.C8H9ClFN.C8H11N/c1-7(2)10-5-8(3)11(12)9(4)6-10;1-8(2)11-7-9(3)5-6-10(11)4;1-4-10-6-5-7-11(8-10)9(2)3;2*1-6(2)8-5-9(11)10(12)4-7(8)3;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-5-9(11)10(12)4-7(8)3;1-6(2)8-4-5-9(12)7(3)10(8)11;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-6(2)8-4-7(3)10(12)9(11)5-8;1-6(2)8-4-5-9(11)7(3)10(8)12;1-7(2)8-4-3-5-9(6-8)10(11)12;2*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-4-5-8(3)10(9)11;1-8(2)10-6-4-5-9(3)7-10;1-5(2)6-3-7(10)9(12)8(11)4-6;1-7(2)8-4-3-5-9(10)6-8;1-5(2)6-3-4-7(11)8(10)9(6)12;1-7(2)8-4-3-5-9(10)6-8;2*1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-11-8(9)7(6)10;1-7(2)8-3-5-9-6-4-8/h5-7H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;2*4-6H,1-3H3;3-7,10H,1-2H3;3*4-7H,1-3H3;8-10H,4-7H2,1-3H3;3-5H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3-7H,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3-7H,1-2H3
InChIKeyHNRVBPCAQSYQFX-UHFFFAOYSA-N
XLogP87.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms278
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004387.87
LogP ≤ 587.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 158533804) is 1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)C1CCCCC1.CC(C)c1cc(F)c(F)c(Br)c1.CC(C)c1ccc(F)c(Cl)c1F.CC(C)c1cccc(Br)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc(I)c1.CC(C)c1ccccc1.CC(C)c1ccnc(Cl)c1F.CC(C)c1ccncc1.CC1CCCC(C(C)C)C1.CCc1cccc(C(C)C)c1.Cc1c(F)ccc(C(C)C)c1Cl.Cc1c(F)ccc(C(C)C)c1F.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)cc(F)c1F.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccc1F.Cc1cc(F)c(Br)cc1C(C)C.Cc1cc(F)c(Br)cc1C(C)C.Cc1cc(F)c(Cl)cc1C(C)C.Cc1ccc(Br)cc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1cccc(C(C)C)c1F.
What is the InChIKey of 1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is HNRVBPCAQSYQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F.2C11H16.2C10H12BrF.C10H13Br.2C10H12ClF.C10H13Cl.C10H11F3.3C10H12F2.3C10H13F.C10H20.C9H9BrF2.C9H11Br.C9H9ClF2.C9H11I.C9H18.C9H12.C8H9ClFN.C8H11N/c1-7(2)10-5-8(3)11(12)9(4)6-10;1-8(2)11-7-9(3)5-6-10(11)4;1-4-10-6-5-7-11(8-10)9(2)3;2*1-6(2)8-5-9(11)10(12)4-7(8)3;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-5-9(11)10(12)4-7(8)3;1-6(2)8-4-5-9(12)7(3)10(8)11;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-6(2)8-4-7(3)10(12)9(11)5-8;1-6(2)8-4-5-9(11)7(3)10(8)12;1-7(2)8-4-3-5-9(6-8)10(11)12;2*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-4-5-8(3)10(9)11;1-8(2)10-6-4-5-9(3)7-10;1-5(2)6-3-7(10)9(12)8(11)4-6;1-7(2)8-4-3-5-9(10)6-8;1-5(2)6-3-4-7(11)8(10)9(6)12;1-7(2)8-4-3-5-9(10)6-8;2*1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-11-8(9)7(6)10;1-7(2)8-3-5-9-6-4-8/h5-7H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;2*4-6H,1-3H3;3-7,10H,1-2H3;3*4-7H,1-3H3;8-10H,4-7H2,1-3H3;3-5H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3-7H,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3-7H,1-2H3.
What are the key properties of 1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene?
1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 4387.87 g/mol, XLogP of 87.31, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-difluoro-5-propan-2-ylbenzene;bis(1-bromo-2-fluoro-4-methyl-5-propan-2-ylbenzene);4-bromo-1-methyl-2-propan-2-ylbenzene;1-bromo-3-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-methyl-4-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;1-iodo-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylcyclohexane;propan-2-ylcyclohexane;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 158533804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).