[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol

C13H12F4N2O — CID 147358227

IUPAC[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(CO)cc1F
InChIInChI=1S/C13H12F4N2O/c1-2-19-6-11(13(15,16)17)18-12(19)9-4-3-8(7-20)5-10(9)14/h3-6,20H,2,7H2,1H3
InChIKeyDGSQNAVRXBZHQO-UHFFFAOYSA-N
MW288.24 g/mol
LogP3.22
Rot. Bonds3

About [4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol

[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol (PubChem CID 147358227) has the molecular formula C13H12F4N2O and a molecular weight of 288.24 g/mol. Its IUPAC name is [4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol
PubChem CID147358227
Molecular FormulaC13H12F4N2O
Molecular Weight288.24 g/mol
Exact Mass288.09
IUPAC Name[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(CO)cc1F
InChIInChI=1S/C13H12F4N2O/c1-2-19-6-11(13(15,16)17)18-12(19)9-4-3-8(7-20)5-10(9)14/h3-6,20H,2,7H2,1H3
InChIKeyDGSQNAVRXBZHQO-UHFFFAOYSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol?
The IUPAC name of [4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol (CID 147358227) is [4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol is CCn1cc(C(F)(F)F)nc1-c1ccc(CO)cc1F.
What is the InChIKey of [4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol?
The InChIKey is DGSQNAVRXBZHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O/c1-2-19-6-11(13(15,16)17)18-12(19)9-4-3-8(7-20)5-10(9)14/h3-6,20H,2,7H2,1H3.
What are the key properties of [4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol?
[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol has a molecular weight of 288.24 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol is sourced from PubChem (CID 147358227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).