[3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol

C12H8F4N2O — CID 115351139

IUPAC[3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H8F4N2O/c13-10-2-7(1-9(3-10)12(14,15)16)11(19)8-4-17-6-18-5-8/h1-6,11,19H
InChIKeyBIRGLQMDZNHOPP-UHFFFAOYSA-N
MW272.20 g/mol
LogP2.72
Rot. Bonds2

About [3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol

[3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol (PubChem CID 115351139) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is [3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name[3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol
PubChem CID115351139
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name[3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H8F4N2O/c13-10-2-7(1-9(3-10)12(14,15)16)11(19)8-4-17-6-18-5-8/h1-6,11,19H
InChIKeyBIRGLQMDZNHOPP-UHFFFAOYSA-N
XLogP2.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62491180
(4-fluoro-3-methylphenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351040
[3-fluoro-5-(trifluoromethyl)phenyl]-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol
CID 139517892
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599
(4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 114637474
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 79021468
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
(5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351144
(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351077
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol?
The IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol (CID 115351139) is [3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol.
What is the SMILES notation for [3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol?
The canonical SMILES for [3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol is OC(c1cncnc1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of [3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol?
The InChIKey is BIRGLQMDZNHOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c13-10-2-7(1-9(3-10)12(14,15)16)11(19)8-4-17-6-18-5-8/h1-6,11,19H.
What are the key properties of [3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol?
[3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol has a molecular weight of 272.20 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol is sourced from PubChem (CID 115351139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).