2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone

C9H7F4NO — CID 84686376

IUPAC2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone
SMILESNCC(=O)c1cc(C(F)F)cc(F)c1F
InChIInChI=1S/C9H7F4NO/c10-6-2-4(9(12)13)1-5(8(6)11)7(15)3-14/h1-2,9H,3,14H2
InChIKeyHIMVSZKUJWRRIU-UHFFFAOYSA-N
MW221.15 g/mol
LogP2.04
Rot. Bonds3

About 2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone

2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone (PubChem CID 84686376) has the molecular formula C9H7F4NO and a molecular weight of 221.15 g/mol. Its IUPAC name is 2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone
PubChem CID84686376
Molecular FormulaC9H7F4NO
Molecular Weight221.15 g/mol
Exact Mass221.05
IUPAC Name2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone
SMILESNCC(=O)c1cc(C(F)F)cc(F)c1F
InChIInChI=1S/C9H7F4NO/c10-6-2-4(9(12)13)1-5(8(6)11)7(15)3-14/h1-2,9H,3,14H2
InChIKeyHIMVSZKUJWRRIU-UHFFFAOYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone
CID 117303848
2-amino-1-(2,4,5-trifluoro-3-hydroxyphenyl)ethanone
CID 117115595
2-amino-1-(3-chloro-2,4,5-trifluorophenyl)ethanone
CID 117115593
2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone
CID 59192858
3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid
CID 117378292
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
3-amino-1-(3,4,5-trifluorophenyl)propan-1-one
CID 131141781
2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid
CID 117307716
3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one
CID 117303820
[4-(difluoromethyl)-2,6-difluorophenyl]methanol
CID 131189605
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
5-(difluoromethyl)-2,3-difluorobenzaldehyde
CID 84663702

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone?
The IUPAC name of 2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone (CID 84686376) is 2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone.
What is the SMILES notation for 2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone?
The canonical SMILES for 2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone is NCC(=O)c1cc(C(F)F)cc(F)c1F.
What is the InChIKey of 2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone?
The InChIKey is HIMVSZKUJWRRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO/c10-6-2-4(9(12)13)1-5(8(6)11)7(15)3-14/h1-2,9H,3,14H2.
What are the key properties of 2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone?
2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone has a molecular weight of 221.15 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone is sourced from PubChem (CID 84686376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).