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

C9H9F2NO — CID 141396004

IUPAC(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one
SMILESC[C@H](N)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C9H9F2NO/c1-5(12)9(13)6-2-7(10)4-8(11)3-6/h2-5H,12H2,1H3/t5-/m0/s1
InChIKeyKBMGHXIPFLOIMK-YFKPBYRVSA-N
MW185.17 g/mol
LogP1.49
Rot. Bonds2

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

(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one (PubChem CID 141396004) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is (2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one
PubChem CID141396004
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one
SMILESC[C@H](N)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C9H9F2NO/c1-5(12)9(13)6-2-7(10)4-8(11)3-6/h2-5H,12H2,1H3/t5-/m0/s1
InChIKeyKBMGHXIPFLOIMK-YFKPBYRVSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3,5-difluorophenyl)-3,3-dimethylbutan-1-one
CID 116611562
1-(3,5-difluorophenyl)-2,2-difluoroethanone
CID 91636131
2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one
CID 116594175
1-(3,5-difluorophenyl)-2-methoxy-3-methylbutan-1-one
CID 116708370
2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one
CID 84783776
ethyl 4-(3,5-difluorophenyl)-3-methyl-4-oxobutanoate
CID 170345680
2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one
CID 84776071
2-amino-1-(3,5-difluorophenyl)pent-4-en-1-one
CID 116607060
1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone
CID 158070226
2-amino-1-(3,5-difluorophenyl)-5-methoxypentan-1-one
CID 116593859
2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one
CID 116574642
bis(3,5-difluorophenyl)methanone
CID 2760569

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one (CID 141396004) is (2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one is C[C@H](N)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of (2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one?
The InChIKey is KBMGHXIPFLOIMK-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-5(12)9(13)6-2-7(10)4-8(11)3-6/h2-5H,12H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one?
(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one has a molecular weight of 185.17 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one is sourced from PubChem (CID 141396004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).