[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol

C15H14F4N2O2 — CID 170707572

IUPAC[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(F)c1-c1nc(C(F)(F)F)cn1C1CC1
InChIInChI=1S/C15H14F4N2O2/c1-23-11-5-8(7-22)4-10(16)13(11)14-20-12(15(17,18)19)6-21(14)9-2-3-9/h4-6,9,22H,2-3,7H2,1H3
InChIKeyXROASFJQWVXDFP-UHFFFAOYSA-N
MW330.28 g/mol
LogP3.54
Rot. Bonds4

About [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol

[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol (PubChem CID 170707572) has the molecular formula C15H14F4N2O2 and a molecular weight of 330.28 g/mol. Its IUPAC name is [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol
PubChem CID170707572
Molecular FormulaC15H14F4N2O2
Molecular Weight330.28 g/mol
Exact Mass330.10
IUPAC Name[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(F)c1-c1nc(C(F)(F)F)cn1C1CC1
InChIInChI=1S/C15H14F4N2O2/c1-23-11-5-8(7-22)4-10(16)13(11)14-20-12(15(17,18)19)6-21(14)9-2-3-9/h4-6,9,22H,2-3,7H2,1H3
InChIKeyXROASFJQWVXDFP-UHFFFAOYSA-N
XLogP3.54
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol?
The IUPAC name of [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol (CID 170707572) is [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol.
What is the SMILES notation for [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol?
The canonical SMILES for [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol is COc1cc(CO)cc(F)c1-c1nc(C(F)(F)F)cn1C1CC1.
What is the InChIKey of [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol?
The InChIKey is XROASFJQWVXDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2O2/c1-23-11-5-8(7-22)4-10(16)13(11)14-20-12(15(17,18)19)6-21(14)9-2-3-9/h4-6,9,22H,2-3,7H2,1H3.
What are the key properties of [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol?
[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol has a molecular weight of 330.28 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol is sourced from PubChem (CID 170707572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).