[3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol

C12H10F4N2O — CID 162378127

IUPAC[3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol
SMILESCn1cc(-c2ccc(CO)cc2F)nc1C(F)(F)F
InChIInChI=1S/C12H10F4N2O/c1-18-5-10(17-11(18)12(14,15)16)8-3-2-7(6-19)4-9(8)13/h2-5,19H,6H2,1H3
InChIKeyGJDCSJRHGOZUSB-UHFFFAOYSA-N
MW274.22 g/mol
LogP2.74
Rot. Bonds2

About [3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol

[3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol (PubChem CID 162378127) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is [3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol
PubChem CID162378127
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name[3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol
SMILESCn1cc(-c2ccc(CO)cc2F)nc1C(F)(F)F
InChIInChI=1S/C12H10F4N2O/c1-18-5-10(17-11(18)12(14,15)16)8-3-2-7(6-19)4-9(8)13/h2-5,19H,6H2,1H3
InChIKeyGJDCSJRHGOZUSB-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol (CID 162378127) is [3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol is Cn1cc(-c2ccc(CO)cc2F)nc1C(F)(F)F.
What is the InChIKey of [3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol?
The InChIKey is GJDCSJRHGOZUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c1-18-5-10(17-11(18)12(14,15)16)8-3-2-7(6-19)4-9(8)13/h2-5,19H,6H2,1H3.
What are the key properties of [3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol?
[3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol has a molecular weight of 274.22 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol is sourced from PubChem (CID 162378127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).