3-amino-2-fluoro-2-phenylbutanoic acid

C10H12FNO2 — CID 67114338

IUPAC3-amino-2-fluoro-2-phenylbutanoic acid
SMILESCC(N)C(F)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H12FNO2/c1-7(12)10(11,9(13)14)8-5-3-2-4-6-8/h2-7H,12H2,1H3,(H,13,14)
InChIKeyGUTCGDRIPLYGKN-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.28
Rot. Bonds3

About 3-amino-2-fluoro-2-phenylbutanoic acid

3-amino-2-fluoro-2-phenylbutanoic acid (PubChem CID 67114338) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-amino-2-fluoro-2-phenylbutanoic acid.

Molecular Properties

Compound Name3-amino-2-fluoro-2-phenylbutanoic acid
PubChem CID67114338
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name3-amino-2-fluoro-2-phenylbutanoic acid
SMILESCC(N)C(F)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H12FNO2/c1-7(12)10(11,9(13)14)8-5-3-2-4-6-8/h2-7H,12H2,1H3,(H,13,14)
InChIKeyGUTCGDRIPLYGKN-UHFFFAOYSA-N
XLogP1.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
2-fluoro-3-hydroxy-2-phenylpentanoic acid
CID 19860351
4-amino-3-bromo-3-phenylpentan-2-one
CID 174845533
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid
CID 7128426
lithium;sodium;hydride;2-phenyl-2-propan-2-ylpropanedioic acid
CID 174968652
3-amino-1,1-difluoro-1-phenylbutan-2-ol
CID 84669970
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride
CID 178200685
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
(2S)-1,1-diphenylpropane-1,2-diamine
CID 11172185
1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
(2S,3S)-3-amino-2-methyl-3-phenylpropanoic acid;2,2,2-trifluoroacetic acid
CID 134926323
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-fluoro-2-phenylbutanoic acid?
The IUPAC name of 3-amino-2-fluoro-2-phenylbutanoic acid (CID 67114338) is 3-amino-2-fluoro-2-phenylbutanoic acid.
What is the SMILES notation for 3-amino-2-fluoro-2-phenylbutanoic acid?
The canonical SMILES for 3-amino-2-fluoro-2-phenylbutanoic acid is CC(N)C(F)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-amino-2-fluoro-2-phenylbutanoic acid?
The InChIKey is GUTCGDRIPLYGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-7(12)10(11,9(13)14)8-5-3-2-4-6-8/h2-7H,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-fluoro-2-phenylbutanoic acid?
3-amino-2-fluoro-2-phenylbutanoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-fluoro-2-phenylbutanoic acid is sourced from PubChem (CID 67114338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).