1-amino-1-(3,5-difluorophenyl)propan-2-one

C9H9F2NO — CID 55271172

IUPAC1-amino-1-(3,5-difluorophenyl)propan-2-one
SMILESCC(=O)C(N)c1cc(F)cc(F)c1
InChIInChI=1S/C9H9F2NO/c1-5(13)9(12)6-2-7(10)4-8(11)3-6/h2-4,9H,12H2,1H3
InChIKeyKCJUQLJFTNQHLI-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.55
Rot. Bonds2

About 1-amino-1-(3,5-difluorophenyl)propan-2-one

1-amino-1-(3,5-difluorophenyl)propan-2-one (PubChem CID 55271172) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 1-amino-1-(3,5-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(3,5-difluorophenyl)propan-2-one
PubChem CID55271172
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name1-amino-1-(3,5-difluorophenyl)propan-2-one
SMILESCC(=O)C(N)c1cc(F)cc(F)c1
InChIInChI=1S/C9H9F2NO/c1-5(13)9(12)6-2-7(10)4-8(11)3-6/h2-4,9H,12H2,1H3
InChIKeyKCJUQLJFTNQHLI-UHFFFAOYSA-N
XLogP1.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
acetic acid;1,3,5-trifluorobenzene
CID 162178148
(1R)-1-(3,5-difluorophenyl)-3-methylbut-3-en-1-amine
CID 131002323
methyl 3-amino-3-(3,5-difluorophenyl)propanoate;hydrochloride
CID 171158674
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
methyl 2-(3,5-difluorophenyl)-2-fluoroacetate
CID 22312713
3-amino-3-(3-fluoro-5-methylphenyl)propanamide
CID 55255925
methyl 2-bromo-2-(3,5-difluorophenyl)acetate
CID 86589535
1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone
CID 158070226
(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one
CID 141396004
5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
CID 55296121
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 84790187

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3,5-difluorophenyl)propan-2-one?
The IUPAC name of 1-amino-1-(3,5-difluorophenyl)propan-2-one (CID 55271172) is 1-amino-1-(3,5-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(3,5-difluorophenyl)propan-2-one?
The canonical SMILES for 1-amino-1-(3,5-difluorophenyl)propan-2-one is CC(=O)C(N)c1cc(F)cc(F)c1.
What is the InChIKey of 1-amino-1-(3,5-difluorophenyl)propan-2-one?
The InChIKey is KCJUQLJFTNQHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-5(13)9(12)6-2-7(10)4-8(11)3-6/h2-4,9H,12H2,1H3.
What are the key properties of 1-amino-1-(3,5-difluorophenyl)propan-2-one?
1-amino-1-(3,5-difluorophenyl)propan-2-one has a molecular weight of 185.17 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(3,5-difluorophenyl)propan-2-one is sourced from PubChem (CID 55271172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).