[1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol

C11H7ClF4N2O2 — CID 23001322

IUPAC[1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(OC(F)(F)F)c(Cl)c2)c(F)n1
InChIInChI=1S/C11H7ClF4N2O2/c12-8-3-7(1-2-9(8)20-11(14,15)16)18-4-6(5-19)17-10(18)13/h1-4,19H,5H2
InChIKeyHAEYPXZHHJHZOE-UHFFFAOYSA-N
MW310.63 g/mol
LogP3.06
Rot. Bonds3

About [1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol

[1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol (PubChem CID 23001322) has the molecular formula C11H7ClF4N2O2 and a molecular weight of 310.63 g/mol. Its IUPAC name is [1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol
PubChem CID23001322
Molecular FormulaC11H7ClF4N2O2
Molecular Weight310.63 g/mol
Exact Mass310.01
IUPAC Name[1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(OC(F)(F)F)c(Cl)c2)c(F)n1
InChIInChI=1S/C11H7ClF4N2O2/c12-8-3-7(1-2-9(8)20-11(14,15)16)18-4-6(5-19)17-10(18)13/h1-4,19H,5H2
InChIKeyHAEYPXZHHJHZOE-UHFFFAOYSA-N
XLogP3.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.63
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol?
The IUPAC name of [1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol (CID 23001322) is [1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol.
What is the SMILES notation for [1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol?
The canonical SMILES for [1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol is OCc1cn(-c2ccc(OC(F)(F)F)c(Cl)c2)c(F)n1.
What is the InChIKey of [1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol?
The InChIKey is HAEYPXZHHJHZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF4N2O2/c12-8-3-7(1-2-9(8)20-11(14,15)16)18-4-6(5-19)17-10(18)13/h1-4,19H,5H2.
What are the key properties of [1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol?
[1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol has a molecular weight of 310.63 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroimidazol-4-yl]methanol is sourced from PubChem (CID 23001322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).