[2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol

C14H13F3N2O — CID 56919025

IUPAC[2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol
SMILESOCc1ccccc1-c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)7-5-11-6-8-18-13(19-11)12-4-2-1-3-10(12)9-20/h1-4,6,8,20H,5,7,9H2
InChIKeyKVSHDAGDHWMPIQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.13
Rot. Bonds4

About [2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol

[2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol (PubChem CID 56919025) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is [2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol
PubChem CID56919025
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name[2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol
SMILESOCc1ccccc1-c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)7-5-11-6-8-18-13(19-11)12-4-2-1-3-10(12)9-20/h1-4,6,8,20H,5,7,9H2
InChIKeyKVSHDAGDHWMPIQ-UHFFFAOYSA-N
XLogP3.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol?
The IUPAC name of [2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol (CID 56919025) is [2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol?
The canonical SMILES for [2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol is OCc1ccccc1-c1nccc(CCC(F)(F)F)n1.
What is the InChIKey of [2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol?
The InChIKey is KVSHDAGDHWMPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)7-5-11-6-8-18-13(19-11)12-4-2-1-3-10(12)9-20/h1-4,6,8,20H,5,7,9H2.
What are the key properties of [2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol?
[2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol has a molecular weight of 282.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]phenyl]methanol is sourced from PubChem (CID 56919025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).