1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one

C12H12F2O2 — CID 123182764

IUPAC1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one
SMILESC=CC(F)(F)Oc1ccccc1CC(C)=O
InChIInChI=1S/C12H12F2O2/c1-3-12(13,14)16-11-7-5-4-6-10(11)8-9(2)15/h3-7H,1,8H2,2H3
InChIKeyNGBQUNBZQHCXKJ-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one

1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one (PubChem CID 123182764) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one
PubChem CID123182764
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one
SMILESC=CC(F)(F)Oc1ccccc1CC(C)=O
InChIInChI=1S/C12H12F2O2/c1-3-12(13,14)16-11-7-5-4-6-10(11)8-9(2)15/h3-7H,1,8H2,2H3
InChIKeyNGBQUNBZQHCXKJ-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate
CID 139576190
[2-(2-oxopropyl)phenyl] 2,2-dimethylpropanoate
CID 13066161
1-[2-(chloromethyl)-6-(trifluoromethoxy)phenyl]propan-2-one
CID 166640657
1-(2-butoxyphenyl)propan-2-one
CID 82161473
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
1-(1,1-difluoroethoxy)-2-ethylbenzene
CID 144727435
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate
CID 88715166
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
1-(2-prop-1-en-2-ylphenyl)propan-2-one
CID 68638096
1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
CID 84666859

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one?
The IUPAC name of 1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one (CID 123182764) is 1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one?
The canonical SMILES for 1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one is C=CC(F)(F)Oc1ccccc1CC(C)=O.
What is the InChIKey of 1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one?
The InChIKey is NGBQUNBZQHCXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c1-3-12(13,14)16-11-7-5-4-6-10(11)8-9(2)15/h3-7H,1,8H2,2H3.
What are the key properties of 1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one?
1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one has a molecular weight of 226.22 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroprop-2-enoxy)phenyl]propan-2-one is sourced from PubChem (CID 123182764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).