[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol

C14H9F5O2 — CID 61087299

IUPAC[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1ccc(OC(F)F)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H9F5O2/c15-8-5-10(16)12(11(17)6-8)13(20)7-1-3-9(4-2-7)21-14(18)19/h1-6,13-14,20H
InChIKeyZEKMAKFMXLHLLU-UHFFFAOYSA-N
MW304.21 g/mol
LogP3.79
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol

[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol (PubChem CID 61087299) has the molecular formula C14H9F5O2 and a molecular weight of 304.21 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol
PubChem CID61087299
Molecular FormulaC14H9F5O2
Molecular Weight304.21 g/mol
Exact Mass304.05
IUPAC Name[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1ccc(OC(F)F)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H9F5O2/c15-8-5-10(16)12(11(17)6-8)13(20)7-1-3-9(4-2-7)21-14(18)19/h1-6,13-14,20H
InChIKeyZEKMAKFMXLHLLU-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol 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-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol (CID 61087299) is [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol is OC(c1ccc(OC(F)F)cc1)c1c(F)cc(F)cc1F.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol?
The InChIKey is ZEKMAKFMXLHLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5O2/c15-8-5-10(16)12(11(17)6-8)13(20)7-1-3-9(4-2-7)21-14(18)19/h1-6,13-14,20H.
What are the key properties of [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol?
[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol has a molecular weight of 304.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 61087299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).