(2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol

C14H9ClF4O2 — CID 105393834

IUPAC(2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H9ClF4O2/c15-12-6-3-9(16)7-11(12)13(20)8-1-4-10(5-2-8)21-14(17,18)19/h1-7,13,20H
InChIKeyKVGIRAHOZGMLQL-UHFFFAOYSA-N
MW320.67 g/mol
LogP4.46
Rot. Bonds3

About (2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol

(2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol (PubChem CID 105393834) has the molecular formula C14H9ClF4O2 and a molecular weight of 320.67 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
PubChem CID105393834
Molecular FormulaC14H9ClF4O2
Molecular Weight320.67 g/mol
Exact Mass320.02
IUPAC Name(2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H9ClF4O2/c15-12-6-3-9(16)7-11(12)13(20)8-1-4-10(5-2-8)21-14(17,18)19/h1-7,13,20H
InChIKeyKVGIRAHOZGMLQL-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.67
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241069
(2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63893221
(5-bromo-2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 79721941
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(2-chloro-5-fluorophenyl)-(4-cyclopropylphenyl)methanol
CID 105393945
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63661812
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-chloro-4-fluorophenol;hydrochloride
CID 171255988
(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(S)-(2-bromo-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240548
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904
(2-chloro-5-fluorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 105394565

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol (CID 105393834) is (2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol is OC(c1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is KVGIRAHOZGMLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4O2/c15-12-6-3-9(16)7-11(12)13(20)8-1-4-10(5-2-8)21-14(17,18)19/h1-7,13,20H.
What are the key properties of (2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol?
(2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 320.67 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 105393834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).