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

C10H12FNO — CID 122592093

IUPAC(3S)-3-amino-3-(2-fluorophenyl)butan-2-one
SMILESCC(=O)[C@@](C)(N)c1ccccc1F
InChIInChI=1S/C10H12FNO/c1-7(13)10(2,12)8-5-3-4-6-9(8)11/h3-6H,12H2,1-2H3/t10-/m1/s1
InChIKeyBUVYZHWUCFZDKI-SNVBAGLBSA-N
MW181.21 g/mol
LogP1.59
Rot. Bonds2

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

(3S)-3-amino-3-(2-fluorophenyl)butan-2-one (PubChem CID 122592093) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-fluorophenyl)butan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-fluorophenyl)butan-2-one
PubChem CID122592093
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(3S)-3-amino-3-(2-fluorophenyl)butan-2-one
SMILESCC(=O)[C@@](C)(N)c1ccccc1F
InChIInChI=1S/C10H12FNO/c1-7(13)10(2,12)8-5-3-4-6-9(8)11/h3-6H,12H2,1-2H3/t10-/m1/s1
InChIKeyBUVYZHWUCFZDKI-SNVBAGLBSA-N
XLogP1.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
2-(2-fluorophenyl)-N,2-dimethylpropanamide
CID 168736996
(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
CID 95298200
2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
CID 55232992
2-(2-fluoroanilino)-2-(2-fluorophenyl)propanamide
CID 60991023
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
CID 62500949
N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110441926
CID 69226515
CID 69226515

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-fluorophenyl)butan-2-one?
The IUPAC name of (3S)-3-amino-3-(2-fluorophenyl)butan-2-one (CID 122592093) is (3S)-3-amino-3-(2-fluorophenyl)butan-2-one.
What is the SMILES notation for (3S)-3-amino-3-(2-fluorophenyl)butan-2-one?
The canonical SMILES for (3S)-3-amino-3-(2-fluorophenyl)butan-2-one is CC(=O)[C@@](C)(N)c1ccccc1F.
What is the InChIKey of (3S)-3-amino-3-(2-fluorophenyl)butan-2-one?
The InChIKey is BUVYZHWUCFZDKI-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7(13)10(2,12)8-5-3-4-6-9(8)11/h3-6H,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (3S)-3-amino-3-(2-fluorophenyl)butan-2-one?
(3S)-3-amino-3-(2-fluorophenyl)butan-2-one has a molecular weight of 181.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-fluorophenyl)butan-2-one is sourced from PubChem (CID 122592093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).