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

C14H12F4N2O — CID 172584473

IUPAC[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol
SMILESOCc1ccc(-c2nc(C(F)(F)F)cn2C2CC2)c(F)c1
InChIInChI=1S/C14H12F4N2O/c15-11-5-8(7-21)1-4-10(11)13-19-12(14(16,17)18)6-20(13)9-2-3-9/h1,4-6,9,21H,2-3,7H2
InChIKeyANRFZYLVJXNIJF-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.54
Rot. Bonds3

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

[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol (PubChem CID 172584473) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol
PubChem CID172584473
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol
SMILESOCc1ccc(-c2nc(C(F)(F)F)cn2C2CC2)c(F)c1
InChIInChI=1S/C14H12F4N2O/c15-11-5-8(7-21)1-4-10(11)13-19-12(14(16,17)18)6-20(13)9-2-3-9/h1,4-6,9,21H,2-3,7H2
InChIKeyANRFZYLVJXNIJF-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol
CID 170707572
2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole
CID 170707376
[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
CID 129139635
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine
CID 172584283
[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 164881273
ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate
CID 172585675
[2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 172586154
2-chloro-8-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 170095250
2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 168800104
2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
CID 83851254
5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine
CID 172584718
5-bromo-2-chloro-N-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 165400933

Frequently Asked Questions

What is the IUPAC name of [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol?
The IUPAC name of [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol (CID 172584473) is [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol is OCc1ccc(-c2nc(C(F)(F)F)cn2C2CC2)c(F)c1.
What is the InChIKey of [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol?
The InChIKey is ANRFZYLVJXNIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c15-11-5-8(7-21)1-4-10(11)13-19-12(14(16,17)18)6-20(13)9-2-3-9/h1,4-6,9,21H,2-3,7H2.
What are the key properties of [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol?
[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol has a molecular weight of 300.26 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol is sourced from PubChem (CID 172584473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).