[3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol

C14H13F3N2O — CID 122476115

IUPAC[3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol
SMILESOCc1cccc(CCc2nccc(C(F)(F)F)n2)c1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-6-7-18-13(19-12)5-4-10-2-1-3-11(8-10)9-20/h1-3,6-8,20H,4-5,9H2
InChIKeyQCPFHBQMQYDNMY-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.77
Rot. Bonds4

About [3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol

[3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol (PubChem CID 122476115) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is [3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol
PubChem CID122476115
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name[3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol
SMILESOCc1cccc(CCc2nccc(C(F)(F)F)n2)c1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-6-7-18-13(19-12)5-4-10-2-1-3-11(8-10)9-20/h1-3,6-8,20H,4-5,9H2
InChIKeyQCPFHBQMQYDNMY-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol?
The IUPAC name of [3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol (CID 122476115) is [3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol.
What is the SMILES notation for [3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol?
The canonical SMILES for [3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol is OCc1cccc(CCc2nccc(C(F)(F)F)n2)c1.
What is the InChIKey of [3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol?
The InChIKey is QCPFHBQMQYDNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)12-6-7-18-13(19-12)5-4-10-2-1-3-11(8-10)9-20/h1-3,6-8,20H,4-5,9H2.
What are the key properties of [3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol?
[3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol has a molecular weight of 282.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol is sourced from PubChem (CID 122476115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).