(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid

C10H11F2NO2 — CID 106702814

IUPAC(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid
SMILESN[C@H](CC(F)(F)c1ccccc1)C(=O)O
InChIInChI=1S/C10H11F2NO2/c11-10(12,6-8(13)9(14)15)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)/t8-/m1/s1
InChIKeyIKGVYPHBLFJAPG-MRVPVSSYSA-N
MW215.20 g/mol
LogP1.58
Rot. Bonds4

About (2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid

(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid (PubChem CID 106702814) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is (2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid
PubChem CID106702814
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid
SMILESN[C@H](CC(F)(F)c1ccccc1)C(=O)O
InChIInChI=1S/C10H11F2NO2/c11-10(12,6-8(13)9(14)15)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)/t8-/m1/s1
InChIKeyIKGVYPHBLFJAPG-MRVPVSSYSA-N
XLogP1.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-4,4-difluoro-4-phenylbutanoate
CID 66940111
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid
CID 7128426
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride
CID 178200685
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol
CID 116790326
4,4-difluoro-2-methylidene-4-phenylbutanamide
CID 166772619
2-amino-3-hydroxypropanoic acid;fluorobenzene
CID 175128385
(2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid
CID 51356551
2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid
CID 117350993
(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid
CID 7408406

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid?
The IUPAC name of (2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid (CID 106702814) is (2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid.
What is the SMILES notation for (2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid?
The canonical SMILES for (2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid is N[C@H](CC(F)(F)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid?
The InChIKey is IKGVYPHBLFJAPG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c11-10(12,6-8(13)9(14)15)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid?
(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid has a molecular weight of 215.20 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid is sourced from PubChem (CID 106702814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).