4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene

C19H13ClF2 — CID 23391190

IUPAC4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F
InChIInChI=1S/C19H13ClF2/c1-12-2-3-15(11-18(12)21)17-9-6-14(10-19(17)22)13-4-7-16(20)8-5-13/h2-11H,1H3
InChIKeyLPBFKASEWQIZBS-UHFFFAOYSA-N
MW314.76 g/mol
LogP6.26
Rot. Bonds2

About 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene

4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene (PubChem CID 23391190) has the molecular formula C19H13ClF2 and a molecular weight of 314.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene
PubChem CID23391190
Molecular FormulaC19H13ClF2
Molecular Weight314.76 g/mol
Exact Mass314.07
IUPAC Name4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F
InChIInChI=1S/C19H13ClF2/c1-12-2-3-15(11-18(12)21)17-9-6-14(10-19(17)22)13-4-7-16(20)8-5-13/h2-11H,1H3
InChIKeyLPBFKASEWQIZBS-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.76
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene?
The IUPAC name of 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene (CID 23391190) is 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene.
What is the SMILES notation for 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene?
The canonical SMILES for 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene is Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F.
What is the InChIKey of 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene?
The InChIKey is LPBFKASEWQIZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2/c1-12-2-3-15(11-18(12)21)17-9-6-14(10-19(17)22)13-4-7-16(20)8-5-13/h2-11H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene?
4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene has a molecular weight of 314.76 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene is sourced from PubChem (CID 23391190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).