[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine

C12H12F3N3O — CID 107686258

IUPAC[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCc2nccn2C(F)F)c(F)c1
InChIInChI=1S/C12H12F3N3O/c13-9-5-8(6-16)1-2-10(9)19-7-11-17-3-4-18(11)12(14)15/h1-5,12H,6-7,16H2
InChIKeyUFHQHNYUVNUEJO-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.45
Rot. Bonds5

About [4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine

[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine (PubChem CID 107686258) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is [4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine
PubChem CID107686258
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCc2nccn2C(F)F)c(F)c1
InChIInChI=1S/C12H12F3N3O/c13-9-5-8(6-16)1-2-10(9)19-7-11-17-3-4-18(11)12(14)15/h1-5,12H,6-7,16H2
InChIKeyUFHQHNYUVNUEJO-UHFFFAOYSA-N
XLogP2.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-nitrophenyl]methanamine
CID 60878126
[5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2-pyridinyl]methanamine
CID 79788216
N-[[3-bromo-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]ethanamine
CID 63046370
(1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
CID 63364536
1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
CID 62072724
1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
CID 81421392
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methoxybenzoic acid
CID 43244336
3-bromo-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzoic acid
CID 61317924
(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 102946674
1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323142
[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methoxyphenyl]methanol
CID 43267887

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine (CID 107686258) is [4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine is NCc1ccc(OCc2nccn2C(F)F)c(F)c1.
What is the InChIKey of [4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine?
The InChIKey is UFHQHNYUVNUEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-9-5-8(6-16)1-2-10(9)19-7-11-17-3-4-18(11)12(14)15/h1-5,12H,6-7,16H2.
What are the key properties of [4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine?
[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine has a molecular weight of 271.24 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 107686258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).