(2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol

C13H6F6O — CID 103303216

IUPAC(2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)cc1F)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H6F6O/c14-5-1-10(18)12(11(19)2-5)13(20)6-3-8(16)9(17)4-7(6)15/h1-4,13,20H
InChIKeyNZOFEZIAHWEVSW-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.60
Rot. Bonds2

About (2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol

(2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol (PubChem CID 103303216) has the molecular formula C13H6F6O and a molecular weight of 292.18 g/mol. Its IUPAC name is (2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol
PubChem CID103303216
Molecular FormulaC13H6F6O
Molecular Weight292.18 g/mol
Exact Mass292.03
IUPAC Name(2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)cc1F)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H6F6O/c14-5-1-10(18)12(11(19)2-5)13(20)6-3-8(16)9(17)4-7(6)15/h1-4,13,20H
InChIKeyNZOFEZIAHWEVSW-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-fluoro-5-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 62509973
(2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089370
(5-fluoro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 63049832
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089185
(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 65100285
(5-chloro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 82883112
(2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 81473551
(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61087673
1-(2,4,6-trifluorophenyl)butane-1,2,4-triol
CID 171872119
1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087665
(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
CID 103304921
(2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089367

Frequently Asked Questions

What is the IUPAC name of (2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of (2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol (CID 103303216) is (2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for (2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for (2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol is OC(c1cc(F)c(F)cc1F)c1c(F)cc(F)cc1F.
What is the InChIKey of (2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol?
The InChIKey is NZOFEZIAHWEVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6O/c14-5-1-10(18)12(11(19)2-5)13(20)6-3-8(16)9(17)4-7(6)15/h1-4,13,20H.
What are the key properties of (2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol?
(2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol has a molecular weight of 292.18 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 103303216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).