4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene

C14H8ClF5O — CID 118822408

IUPAC4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)c1cc(Cl)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H8ClF5O/c15-8-5-6-9(11(7-8)13(16)17)10-3-1-2-4-12(10)21-14(18,19)20/h1-7,13H
InChIKeySYRZNJZCXLAZKW-UHFFFAOYSA-N
MW322.66 g/mol
LogP5.84
Rot. Bonds3

About 4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene

4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene (PubChem CID 118822408) has the molecular formula C14H8ClF5O and a molecular weight of 322.66 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene
PubChem CID118822408
Molecular FormulaC14H8ClF5O
Molecular Weight322.66 g/mol
Exact Mass322.02
IUPAC Name4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)c1cc(Cl)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H8ClF5O/c15-8-5-6-9(11(7-8)13(16)17)10-3-1-2-4-12(10)21-14(18,19)20/h1-7,13H
InChIKeySYRZNJZCXLAZKW-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.66
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]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 4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene (CID 118822408) is 4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene is FC(F)c1cc(Cl)ccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is SYRZNJZCXLAZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5O/c15-8-5-6-9(11(7-8)13(16)17)10-3-1-2-4-12(10)21-14(18,19)20/h1-7,13H.
What are the key properties of 4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene?
4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene has a molecular weight of 322.66 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118822408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).