4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene

C19H19ClF2 — CID 70148050

IUPAC4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C/C=C(\F)C(C)(C)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C19H19ClF2/c1-13-12-14(4-10-17(13)21)5-11-18(22)19(2,3)15-6-8-16(20)9-7-15/h4,6-12H,5H2,1-3H3/b18-11-
InChIKeyIVBATJIRHUKGLT-WQRHYEAKSA-N
MW320.81 g/mol
LogP6.16
Rot. Bonds4

About 4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene

4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene (PubChem CID 70148050) has the molecular formula C19H19ClF2 and a molecular weight of 320.81 g/mol. Its IUPAC name is 4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene
PubChem CID70148050
Molecular FormulaC19H19ClF2
Molecular Weight320.81 g/mol
Exact Mass320.11
IUPAC Name4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C/C=C(\F)C(C)(C)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C19H19ClF2/c1-13-12-14(4-10-17(13)21)5-11-18(22)19(2,3)15-6-8-16(20)9-7-15/h4,6-12H,5H2,1-3H3/b18-11-
InChIKeyIVBATJIRHUKGLT-WQRHYEAKSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.81
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 55116404
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 63417776
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
1-(4-fluoro-3-methylphenyl)-1-(3-fluorophenyl)ethanol
CID 62787951
2-(4-fluoro-3-methylphenyl)-2-methylpropanal
CID 83683621
1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 91020415
4-[(2E,5E)-2-chlorohepta-2,5-dienyl]-1-fluoro-2-methylbenzene
CID 167217064
1-(4-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764
1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
CID 64514428
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene?
The IUPAC name of 4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene (CID 70148050) is 4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene.
What is the SMILES notation for 4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene?
The canonical SMILES for 4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene is Cc1cc(C/C=C(\F)C(C)(C)c2ccc(Cl)cc2)ccc1F.
What is the InChIKey of 4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene?
The InChIKey is IVBATJIRHUKGLT-WQRHYEAKSA-N. The full InChI is InChI=1S/C19H19ClF2/c1-13-12-14(4-10-17(13)21)5-11-18(22)19(2,3)15-6-8-16(20)9-7-15/h4,6-12H,5H2,1-3H3/b18-11-.
What are the key properties of 4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene?
4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene has a molecular weight of 320.81 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-(4-chlorophenyl)-3-fluoro-4-methylpent-2-enyl]-1-fluoro-2-methylbenzene is sourced from PubChem (CID 70148050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).