[3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol

C13H14F4O2 — CID 107135674

IUPAC[3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol
SMILESOC(c1cc(F)cc(C(F)(F)F)c1)C1CCCOC1
InChIInChI=1S/C13H14F4O2/c14-11-5-9(4-10(6-11)13(15,16)17)12(18)8-2-1-3-19-7-8/h4-6,8,12,18H,1-3,7H2
InChIKeyYGMKTGSBBQQFQM-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.30
Rot. Bonds2

About [3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol

[3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol (PubChem CID 107135674) has the molecular formula C13H14F4O2 and a molecular weight of 278.24 g/mol. Its IUPAC name is [3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol.

Molecular Properties

Compound Name[3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol
PubChem CID107135674
Molecular FormulaC13H14F4O2
Molecular Weight278.24 g/mol
Exact Mass278.09
IUPAC Name[3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol
SMILESOC(c1cc(F)cc(C(F)(F)F)c1)C1CCCOC1
InChIInChI=1S/C13H14F4O2/c14-11-5-9(4-10(6-11)13(15,16)17)12(18)8-2-1-3-19-7-8/h4-6,8,12,18H,1-3,7H2
InChIKeyYGMKTGSBBQQFQM-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351164
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351077
(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
CID 107136132
(3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351175
(1R,2S)-2-amino-1-cyclohexyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171268935
2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351165
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537
(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
CID 79703753
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
oxolan-3-yl-(2,4,6-trifluorophenyl)methanol
CID 61277498

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol?
The IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol (CID 107135674) is [3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol.
What is the SMILES notation for [3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol?
The canonical SMILES for [3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol is OC(c1cc(F)cc(C(F)(F)F)c1)C1CCCOC1.
What is the InChIKey of [3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol?
The InChIKey is YGMKTGSBBQQFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O2/c14-11-5-9(4-10(6-11)13(15,16)17)12(18)8-2-1-3-19-7-8/h4-6,8,12,18H,1-3,7H2.
What are the key properties of [3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol?
[3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol has a molecular weight of 278.24 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol is sourced from PubChem (CID 107135674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).