4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene

C19H14ClF — CID 23391193

IUPAC4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene
SMILESCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1F
InChIInChI=1S/C19H14ClF/c1-13-2-3-17(12-19(13)21)16-6-4-14(5-7-16)15-8-10-18(20)11-9-15/h2-12H,1H3
InChIKeyIYRMBXZFUQMKKS-UHFFFAOYSA-N
MW296.77 g/mol
LogP6.12
Rot. Bonds2

About 4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene

4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene (PubChem CID 23391193) has the molecular formula C19H14ClF and a molecular weight of 296.77 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene
PubChem CID23391193
Molecular FormulaC19H14ClF
Molecular Weight296.77 g/mol
Exact Mass296.08
IUPAC Name4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene
SMILESCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1F
InChIInChI=1S/C19H14ClF/c1-13-2-3-17(12-19(13)21)16-6-4-14(5-7-16)15-8-10-18(20)11-9-15/h2-12H,1H3
InChIKeyIYRMBXZFUQMKKS-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.77
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene?
The IUPAC name of 4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene (CID 23391193) is 4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene is Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1F.
What is the InChIKey of 4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene?
The InChIKey is IYRMBXZFUQMKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF/c1-13-2-3-17(12-19(13)21)16-6-4-14(5-7-16)15-8-10-18(20)11-9-15/h2-12H,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene?
4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene has a molecular weight of 296.77 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)phenyl]-2-fluoro-1-methylbenzene is sourced from PubChem (CID 23391193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).