1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one

C14H14F2N2O2 — CID 115495324

IUPAC1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2nccn2C(F)F)cc1
InChIInChI=1S/C14H14F2N2O2/c1-10(19)8-11-2-4-12(5-3-11)20-9-13-17-6-7-18(13)14(15)16/h2-7,14H,8-9H2,1H3
InChIKeyYUUMKTNCEKJNDD-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.99
Rot. Bonds6

About 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one

1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one (PubChem CID 115495324) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one
PubChem CID115495324
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2nccn2C(F)F)cc1
InChIInChI=1S/C14H14F2N2O2/c1-10(19)8-11-2-4-12(5-3-11)20-9-13-17-6-7-18(13)14(15)16/h2-7,14H,8-9H2,1H3
InChIKeyYUUMKTNCEKJNDD-UHFFFAOYSA-N
XLogP2.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
CID 115494550
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
CID 60879959
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
CID 43112135
2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole
CID 103606232
1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
CID 81421392
[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methanol
CID 43326932
[5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2-pyridinyl]methanamine
CID 79788216
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole
CID 75424823
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methoxyphenyl]methanol
CID 43267887
1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone
CID 91636213
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methoxybenzoic acid
CID 43244336

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one?
The IUPAC name of 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one (CID 115495324) is 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one is CC(=O)Cc1ccc(OCc2nccn2C(F)F)cc1.
What is the InChIKey of 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one?
The InChIKey is YUUMKTNCEKJNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-10(19)8-11-2-4-12(5-3-11)20-9-13-17-6-7-18(13)14(15)16/h2-7,14H,8-9H2,1H3.
What are the key properties of 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one?
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one has a molecular weight of 280.27 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one is sourced from PubChem (CID 115495324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).