(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol

C14H9F5O2 — CID 63661812

IUPAC(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cccc(OC(F)(F)F)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H9F5O2/c15-9-4-5-12(16)11(7-9)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13,20H
InChIKeyWMHPSNQZOVUDTN-UHFFFAOYSA-N
MW304.21 g/mol
LogP3.95
Rot. Bonds3

About (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol

(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 63661812) has the molecular formula C14H9F5O2 and a molecular weight of 304.21 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID63661812
Molecular FormulaC14H9F5O2
Molecular Weight304.21 g/mol
Exact Mass304.05
IUPAC Name(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cccc(OC(F)(F)F)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H9F5O2/c15-9-4-5-12(16)11(7-9)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13,20H
InChIKeyWMHPSNQZOVUDTN-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63894130
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 63672562
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 62918976
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63895294
(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107104966
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107969653
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096591
(2,5-difluorophenyl)-(3,5-dimethoxyphenyl)methanol
CID 61100108

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol (CID 63661812) is (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol is OC(c1cccc(OC(F)(F)F)c1)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is WMHPSNQZOVUDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5O2/c15-9-4-5-12(16)11(7-9)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13,20H.
What are the key properties of (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 304.21 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 63661812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).