[2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol

C11H10F4N2O — CID 163877060

IUPAC[2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol
SMILESOCc1cnc([C@H]2C=CC(F)=C(C(F)(F)F)C2)[nH]1
InChIInChI=1S/C11H10F4N2O/c12-9-2-1-6(3-8(9)11(13,14)15)10-16-4-7(5-18)17-10/h1-2,4,6,18H,3,5H2,(H,16,17)/t6-/m0/s1
InChIKeyPPUMPKGTFUKWPD-LURJTMIESA-N
MW262.21 g/mol
LogP2.73
Rot. Bonds2

About [2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol

[2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol (PubChem CID 163877060) has the molecular formula C11H10F4N2O and a molecular weight of 262.21 g/mol. Its IUPAC name is [2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol
PubChem CID163877060
Molecular FormulaC11H10F4N2O
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name[2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol
SMILESOCc1cnc([C@H]2C=CC(F)=C(C(F)(F)F)C2)[nH]1
InChIInChI=1S/C11H10F4N2O/c12-9-2-1-6(3-8(9)11(13,14)15)10-16-4-7(5-18)17-10/h1-2,4,6,18H,3,5H2,(H,16,17)/t6-/m0/s1
InChIKeyPPUMPKGTFUKWPD-LURJTMIESA-N
XLogP2.73
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol (CID 163877060) is [2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol is OCc1cnc([C@H]2C=CC(F)=C(C(F)(F)F)C2)[nH]1.
What is the InChIKey of [2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol?
The InChIKey is PPUMPKGTFUKWPD-LURJTMIESA-N. The full InChI is InChI=1S/C11H10F4N2O/c12-9-2-1-6(3-8(9)11(13,14)15)10-16-4-7(5-18)17-10/h1-2,4,6,18H,3,5H2,(H,16,17)/t6-/m0/s1.
What are the key properties of [2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol?
[2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol has a molecular weight of 262.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-4-fluoro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 163877060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).