4-benzhydryl-2-chloro-1-fluorobenzene

C19H14ClF — CID 91584132

IUPAC4-benzhydryl-2-chloro-1-fluorobenzene
SMILESFc1ccc(C(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C19H14ClF/c20-17-13-16(11-12-18(17)21)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H
InChIKeyZZJJWGJXNUCBDS-UHFFFAOYSA-N
MW296.77 g/mol
LogP5.66
Rot. Bonds3

About 4-benzhydryl-2-chloro-1-fluorobenzene

4-benzhydryl-2-chloro-1-fluorobenzene (PubChem CID 91584132) has the molecular formula C19H14ClF and a molecular weight of 296.77 g/mol. Its IUPAC name is 4-benzhydryl-2-chloro-1-fluorobenzene.

Molecular Properties

Compound Name4-benzhydryl-2-chloro-1-fluorobenzene
PubChem CID91584132
Molecular FormulaC19H14ClF
Molecular Weight296.77 g/mol
Exact Mass296.08
IUPAC Name4-benzhydryl-2-chloro-1-fluorobenzene
SMILESFc1ccc(C(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C19H14ClF/c20-17-13-16(11-12-18(17)21)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H
InChIKeyZZJJWGJXNUCBDS-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.77
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-2-chloro-1-fluorobenzene?
The IUPAC name of 4-benzhydryl-2-chloro-1-fluorobenzene (CID 91584132) is 4-benzhydryl-2-chloro-1-fluorobenzene.
What is the SMILES notation for 4-benzhydryl-2-chloro-1-fluorobenzene?
The canonical SMILES for 4-benzhydryl-2-chloro-1-fluorobenzene is Fc1ccc(C(c2ccccc2)c2ccccc2)cc1Cl.
What is the InChIKey of 4-benzhydryl-2-chloro-1-fluorobenzene?
The InChIKey is ZZJJWGJXNUCBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF/c20-17-13-16(11-12-18(17)21)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H.
What are the key properties of 4-benzhydryl-2-chloro-1-fluorobenzene?
4-benzhydryl-2-chloro-1-fluorobenzene has a molecular weight of 296.77 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-2-chloro-1-fluorobenzene is sourced from PubChem (CID 91584132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).