phenyl-[3-(trifluoromethyl)phenyl]methanol

C14H11F3O — CID 2777404

IUPACphenyl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,13,18H
InChIKeyKRMIEGLFYDWJOT-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.79
Rot. Bonds2

About phenyl-[3-(trifluoromethyl)phenyl]methanol

phenyl-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 2777404) has the molecular formula C14H11F3O and a molecular weight of 252.24 g/mol. Its IUPAC name is phenyl-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namephenyl-[3-(trifluoromethyl)phenyl]methanol
PubChem CID2777404
Molecular FormulaC14H11F3O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Namephenyl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,13,18H
InChIKeyKRMIEGLFYDWJOT-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of phenyl-[3-(trifluoromethyl)phenyl]methanol (CID 2777404) is phenyl-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for phenyl-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for phenyl-[3-(trifluoromethyl)phenyl]methanol is OC(c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of phenyl-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is KRMIEGLFYDWJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,13,18H.
What are the key properties of phenyl-[3-(trifluoromethyl)phenyl]methanol?
phenyl-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 252.24 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 2777404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).