2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone

C10H11F2NO — CID 84668706

IUPAC2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone
SMILESCC(F)(F)c1ccccc1C(=O)CN
InChIInChI=1S/C10H11F2NO/c1-10(11,12)8-5-3-2-4-7(8)9(14)6-13/h2-5H,6,13H2,1H3
InChIKeyISYRGFZPPBRFKZ-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.94
Rot. Bonds3

About 2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone

2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone (PubChem CID 84668706) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone
PubChem CID84668706
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone
SMILESCC(F)(F)c1ccccc1C(=O)CN
InChIInChI=1S/C10H11F2NO/c1-10(11,12)8-5-3-2-4-7(8)9(14)6-13/h2-5H,6,13H2,1H3
InChIKeyISYRGFZPPBRFKZ-UHFFFAOYSA-N
XLogP1.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-amino-3-(trifluoromethyl)phenyl]ethanone
CID 105471934
2-(1,1-difluoroethyl)-N-methylbenzamide
CID 162577291
2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
CID 84692542
2-amino-1-[2-(trifluoromethylsulfanyl)phenyl]ethanone
CID 170860575
3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one
CID 115113429
2-amino-1-[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethanone
CID 117395826
[2-(2-aminoacetyl)phenyl] acetate
CID 129189924
1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one
CID 23071301
2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 117115583
2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 84684327
2-(2-aminoacetyl)-N,N-dimethylbenzenesulfonamide
CID 170861049
1-[2-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114962023

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone (CID 84668706) is 2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone is CC(F)(F)c1ccccc1C(=O)CN.
What is the InChIKey of 2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone?
The InChIKey is ISYRGFZPPBRFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-10(11,12)8-5-3-2-4-7(8)9(14)6-13/h2-5H,6,13H2,1H3.
What are the key properties of 2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone?
2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone has a molecular weight of 199.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone is sourced from PubChem (CID 84668706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).