3-amino-1-(2-fluorophenyl)butan-1-one

C10H12FNO — CID 81462850

IUPAC3-amino-1-(2-fluorophenyl)butan-1-one
SMILESCC(N)CC(=O)c1ccccc1F
InChIInChI=1S/C10H12FNO/c1-7(12)6-10(13)8-4-2-3-5-9(8)11/h2-5,7H,6,12H2,1H3
InChIKeyRPYHBSSMYKYBKC-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.75
Rot. Bonds3

About 3-amino-1-(2-fluorophenyl)butan-1-one

3-amino-1-(2-fluorophenyl)butan-1-one (PubChem CID 81462850) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-amino-1-(2-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-fluorophenyl)butan-1-one
PubChem CID81462850
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-amino-1-(2-fluorophenyl)butan-1-one
SMILESCC(N)CC(=O)c1ccccc1F
InChIInChI=1S/C10H12FNO/c1-7(12)6-10(13)8-4-2-3-5-9(8)11/h2-5,7H,6,12H2,1H3
InChIKeyRPYHBSSMYKYBKC-UHFFFAOYSA-N
XLogP1.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(2-fluorophenyl)butan-1-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

4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one
CID 116596540
3-amino-1-(2,6-difluorophenyl)butan-1-one
CID 81462317
3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one
CID 106647112
N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119742068
1-(2-fluorophenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43219744
2-amino-3-[(3R)-3-aminobutanoyl]benzoic acid
CID 23405622
1-(2-fluorophenyl)butane-1,3-dione
CID 15169784
3-amino-1-(2-amino-3-pyridinyl)butan-1-one
CID 116556036
(3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide
CID 102292638
1-(2-fluorophenyl)pentane-1,3-dione
CID 28896114
1-(2-fluorophenyl)-2-(1-phenylethoxy)ethanone
CID 62031430
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluorophenyl)butan-1-one?
The IUPAC name of 3-amino-1-(2-fluorophenyl)butan-1-one (CID 81462850) is 3-amino-1-(2-fluorophenyl)butan-1-one.
What is the SMILES notation for 3-amino-1-(2-fluorophenyl)butan-1-one?
The canonical SMILES for 3-amino-1-(2-fluorophenyl)butan-1-one is CC(N)CC(=O)c1ccccc1F.
What is the InChIKey of 3-amino-1-(2-fluorophenyl)butan-1-one?
The InChIKey is RPYHBSSMYKYBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7(12)6-10(13)8-4-2-3-5-9(8)11/h2-5,7H,6,12H2,1H3.
What are the key properties of 3-amino-1-(2-fluorophenyl)butan-1-one?
3-amino-1-(2-fluorophenyl)butan-1-one has a molecular weight of 181.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluorophenyl)butan-1-one is sourced from PubChem (CID 81462850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).