1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone

C13H11ClF2N2O2 — CID 91636213

IUPAC1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2nccn2C(F)F)c(Cl)c1
InChIInChI=1S/C13H11ClF2N2O2/c1-8(19)9-2-3-11(10(14)6-9)20-7-12-17-4-5-18(12)13(15)16/h2-6,13H,7H2,1H3
InChIKeyALEUWUAIALJCNC-UHFFFAOYSA-N
MW300.69 g/mol
LogP3.71
Rot. Bonds5

About 1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone

1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone (PubChem CID 91636213) has the molecular formula C13H11ClF2N2O2 and a molecular weight of 300.69 g/mol. Its IUPAC name is 1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone
PubChem CID91636213
Molecular FormulaC13H11ClF2N2O2
Molecular Weight300.69 g/mol
Exact Mass300.05
IUPAC Name1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2nccn2C(F)F)c(Cl)c1
InChIInChI=1S/C13H11ClF2N2O2/c1-8(19)9-2-3-11(10(14)6-9)20-7-12-17-4-5-18(12)13(15)16/h2-6,13H,7H2,1H3
InChIKeyALEUWUAIALJCNC-UHFFFAOYSA-N
XLogP3.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.69
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
(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
2-chloro-6-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzoic acid
CID 114320362
2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
CID 134050131
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
[1-(difluoromethyl)imidazol-2-yl]methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 18208543
N-[[3-bromo-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]ethanamine
CID 63046370
1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102616154
1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone
CID 112689409
2-(4-acetyl-2-chlorophenoxy)acetic acid
CID 13400547

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone (CID 91636213) is 1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2nccn2C(F)F)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone?
The InChIKey is ALEUWUAIALJCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2/c1-8(19)9-2-3-11(10(14)6-9)20-7-12-17-4-5-18(12)13(15)16/h2-6,13H,7H2,1H3.
What are the key properties of 1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone?
1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone has a molecular weight of 300.69 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 91636213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).