1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene

C14H11ClF2 — CID 12634147

IUPAC1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene
SMILESFC(F)(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClF2/c15-13-8-6-12(7-9-13)14(16,17)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyTUOOELYTLAVDHX-UHFFFAOYSA-N
MW252.69 g/mol
LogP4.67
Rot. Bonds3

About 1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene

1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene (PubChem CID 12634147) has the molecular formula C14H11ClF2 and a molecular weight of 252.69 g/mol. Its IUPAC name is 1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene
PubChem CID12634147
Molecular FormulaC14H11ClF2
Molecular Weight252.69 g/mol
Exact Mass252.05
IUPAC Name1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene
SMILESFC(F)(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClF2/c15-13-8-6-12(7-9-13)14(16,17)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyTUOOELYTLAVDHX-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene?
The IUPAC name of 1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene (CID 12634147) is 1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene.
What is the SMILES notation for 1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene?
The canonical SMILES for 1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene is FC(F)(Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene?
The InChIKey is TUOOELYTLAVDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2/c15-13-8-6-12(7-9-13)14(16,17)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene?
1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene has a molecular weight of 252.69 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene is sourced from PubChem (CID 12634147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).