1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane

C13H15F3N2 — CID 145149010

IUPAC1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane
SMILESCC.Fc1ccc(-c2cn(CC(F)F)cn2)cc1
InChIInChI=1S/C11H9F3N2.C2H6/c12-9-3-1-8(2-4-9)10-5-16(7-15-10)6-11(13)14;1-2/h1-5,7,11H,6H2;1-2H3
InChIKeyOGXAUJFPWFLPSW-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.98
Rot. Bonds3

About 1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane

1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane (PubChem CID 145149010) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane
PubChem CID145149010
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane
SMILESCC.Fc1ccc(-c2cn(CC(F)F)cn2)cc1
InChIInChI=1S/C11H9F3N2.C2H6/c12-9-3-1-8(2-4-9)10-5-16(7-15-10)6-11(13)14;1-2/h1-5,7,11H,6H2;1-2H3
InChIKeyOGXAUJFPWFLPSW-UHFFFAOYSA-N
XLogP3.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole
CID 155674758
ethane;1-ethynyl-4-(4-fluorophenyl)imidazole
CID 170637215
2-[[4-(4-fluorophenyl)imidazol-1-yl]methyl]-2-methylcyclohexane-1,3-dione
CID 46180250
4-(4-fluorophenyl)-1-methoxyimidazole
CID 174641762
4-[1-(2,2-dimethylpropyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole
CID 172716717
1-(chloromethyl)-4-(4-methylphenyl)imidazole
CID 91755144
4-(2,4-difluorophenyl)-1-ethylimidazole
CID 141121326
4-[1-(fluoromethyl)imidazol-4-yl]phenol
CID 141423855
1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole
CID 141132122
1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718378
4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole
CID 172843445
ethane;6-(4-fluorophenyl)-3-methylimidazo[1,2-a]pyrazine
CID 143706949

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane (CID 145149010) is 1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane is CC.Fc1ccc(-c2cn(CC(F)F)cn2)cc1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane?
The InChIKey is OGXAUJFPWFLPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2.C2H6/c12-9-3-1-8(2-4-9)10-5-16(7-15-10)6-11(13)14;1-2/h1-5,7,11H,6H2;1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane?
1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane has a molecular weight of 256.27 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane is sourced from PubChem (CID 145149010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).