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

C12H9F3N2O2 — CID 51063945

IUPAC[4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol
SMILESOCc1ccc(Oc2ccnc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)11-16-6-5-10(17-11)19-9-3-1-8(7-18)2-4-9/h1-6,18H,7H2
InChIKeyHLQRGXPTVRKHGP-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.78
Rot. Bonds3

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

[4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol (PubChem CID 51063945) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is [4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol
PubChem CID51063945
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name[4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol
SMILESOCc1ccc(Oc2ccnc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)11-16-6-5-10(17-11)19-9-3-1-8(7-18)2-4-9/h1-6,18H,7H2
InChIKeyHLQRGXPTVRKHGP-UHFFFAOYSA-N
XLogP2.78
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol?
The IUPAC name of [4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol (CID 51063945) is [4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol is OCc1ccc(Oc2ccnc(C(F)(F)F)n2)cc1.
What is the InChIKey of [4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol?
The InChIKey is HLQRGXPTVRKHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)11-16-6-5-10(17-11)19-9-3-1-8(7-18)2-4-9/h1-6,18H,7H2.
What are the key properties of [4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol?
[4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol has a molecular weight of 270.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 51063945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).