(1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol

C12H11F3N2O — CID 79755972

IUPAC(1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
SMILESCCn1ccnc1C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H11F3N2O/c1-2-17-6-5-16-12(17)11(18)7-3-4-8(13)10(15)9(7)14/h3-6,11,18H,2H2,1H3
InChIKeyIWYLPQOPJVAWAE-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.40
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol

(1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 79755972) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
PubChem CID79755972
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name(1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
SMILESCCn1ccnc1C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H11F3N2O/c1-2-17-6-5-16-12(17)11(18)7-3-4-8(13)10(15)9(7)14/h3-6,11,18H,2H2,1H3
InChIKeyIWYLPQOPJVAWAE-UHFFFAOYSA-N
XLogP2.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79755971
(2,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314416
(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314413
(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314221
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol
CID 61316871
(1-ethylimidazol-2-yl)-quinolin-8-ylmethanol
CID 55126409
(1-ethylimidazol-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 114554153
(1-ethylimidazol-2-yl)-pyridazin-4-ylmethanol
CID 104672120
(2,5-dimethoxyphenyl)-(1-ethylimidazol-2-yl)methanol
CID 3140475
(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097047
(2-bromo-5-chlorophenyl)-(1-propylimidazol-2-yl)methanol
CID 66156091

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol (CID 79755972) is (1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol is CCn1ccnc1C(O)c1ccc(F)c(F)c1F.
What is the InChIKey of (1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is IWYLPQOPJVAWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-2-17-6-5-16-12(17)11(18)7-3-4-8(13)10(15)9(7)14/h3-6,11,18H,2H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol?
(1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 256.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 79755972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).