[2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol

C12H9F3N2O — CID 56704868

IUPAC[2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol
SMILESOCc1ccccc1-c1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)10-5-6-16-11(17-10)9-4-2-1-3-8(9)7-18/h1-6,18H,7H2
InChIKeyOAROHJAGGMZQBP-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.65
Rot. Bonds2

About [2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol

[2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol (PubChem CID 56704868) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol
PubChem CID56704868
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name[2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol
SMILESOCc1ccccc1-c1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)10-5-6-16-11(17-10)9-4-2-1-3-8(9)7-18/h1-6,18H,7H2
InChIKeyOAROHJAGGMZQBP-UHFFFAOYSA-N
XLogP2.65
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-naphthalen-1-ylpyrimidin-4-yl)methanol
CID 55114157
[2-(2-methylpyrimidin-4-yl)phenyl]methanol
CID 154273699
4-[4-(trifluoromethyl)pyrimidin-2-yl]aniline
CID 63319084
2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 174722117
[2-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]methanol
CID 74245573
[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine
CID 46785114
3-[4-(trifluoromethyl)pyrimidin-2-yl]aniline
CID 63319315
2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine
CID 141428073
[2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol
CID 56722954
[2-(2-methoxyphenyl)pyrimidin-4-yl]methanol
CID 62748662
N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
benzoic acid;[2-[2-(hydroxymethyl)phenyl]phenyl]methanol
CID 69100469

Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol?
The IUPAC name of [2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol (CID 56704868) is [2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol?
The canonical SMILES for [2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol is OCc1ccccc1-c1nccc(C(F)(F)F)n1.
What is the InChIKey of [2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol?
The InChIKey is OAROHJAGGMZQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)10-5-6-16-11(17-10)9-4-2-1-3-8(9)7-18/h1-6,18H,7H2.
What are the key properties of [2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol?
[2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol has a molecular weight of 254.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methanol is sourced from PubChem (CID 56704868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).