2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene

C18H12Cl2F2 — CID 141158763

IUPAC2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene
SMILESFC1=CC=C[C@](c2ccccc2F)(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H12Cl2F2/c19-12-7-8-14(16(20)10-12)18(9-3-4-13(21)11-18)15-5-1-2-6-17(15)22/h1-10H,11H2/t18-/m1/s1
InChIKeyVWMGFXFTISAITD-GOSISDBHSA-N
MW337.20 g/mol
LogP6.23
Rot. Bonds2

About 2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene

2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene (PubChem CID 141158763) has the molecular formula C18H12Cl2F2 and a molecular weight of 337.20 g/mol. Its IUPAC name is 2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene
PubChem CID141158763
Molecular FormulaC18H12Cl2F2
Molecular Weight337.20 g/mol
Exact Mass336.03
IUPAC Name2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene
SMILESFC1=CC=C[C@](c2ccccc2F)(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H12Cl2F2/c19-12-7-8-14(16(20)10-12)18(9-3-4-13(21)11-18)15-5-1-2-6-17(15)22/h1-10H,11H2/t18-/m1/s1
InChIKeyVWMGFXFTISAITD-GOSISDBHSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.20
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene?
The IUPAC name of 2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene (CID 141158763) is 2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene is FC1=CC=C[C@](c2ccccc2F)(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene?
The InChIKey is VWMGFXFTISAITD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H12Cl2F2/c19-12-7-8-14(16(20)10-12)18(9-3-4-13(21)11-18)15-5-1-2-6-17(15)22/h1-10H,11H2/t18-/m1/s1.
What are the key properties of 2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene?
2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene has a molecular weight of 337.20 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene is sourced from PubChem (CID 141158763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).