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

C14H13F3N2O — CID 66141453

IUPAC(3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccccc1C(F)(F)F)c1cncn1C1CC1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)11-4-2-1-3-10(11)13(20)12-7-18-8-19(12)9-5-6-9/h1-4,7-9,13,20H,5-6H2
InChIKeyVCTBDBIDSGVMHC-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.32
Rot. Bonds3

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

(3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 66141453) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is (3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID66141453
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name(3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccccc1C(F)(F)F)c1cncn1C1CC1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)11-4-2-1-3-10(11)13(20)12-7-18-8-19(12)9-5-6-9/h1-4,7-9,13,20H,5-6H2
InChIKeyVCTBDBIDSGVMHC-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol (CID 66141453) is (3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol is OC(c1ccccc1C(F)(F)F)c1cncn1C1CC1.
What is the InChIKey of (3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is VCTBDBIDSGVMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)11-4-2-1-3-10(11)13(20)12-7-18-8-19(12)9-5-6-9/h1-4,7-9,13,20H,5-6H2.
What are the key properties of (3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
(3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 282.26 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 66141453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).