(2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid

C10H10ClF2NO3 — CID 10611751

IUPAC(2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid
SMILESN[C@@H](C(=O)O)[C@](O)(c1ccccc1)C(F)(F)Cl
InChIInChI=1S/C10H10ClF2NO3/c11-10(12,13)9(17,7(14)8(15)16)6-4-2-1-3-5-6/h1-5,7,17H,14H2,(H,15,16)/t7-,9+/m0/s1
InChIKeyOUOCONUWHPRCNV-IONNQARKSA-N
MW265.64 g/mol
LogP1.12
Rot. Bonds4

About (2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid

(2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid (PubChem CID 10611751) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is (2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid
PubChem CID10611751
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Name(2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid
SMILESN[C@@H](C(=O)O)[C@](O)(c1ccccc1)C(F)(F)Cl
InChIInChI=1S/C10H10ClF2NO3/c11-10(12,13)9(17,7(14)8(15)16)6-4-2-1-3-5-6/h1-5,7,17H,14H2,(H,15,16)/t7-,9+/m0/s1
InChIKeyOUOCONUWHPRCNV-IONNQARKSA-N
XLogP1.12
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid with MolForge

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Related Compounds

(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid
CID 7128426
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride
CID 178200685
(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid
CID 168862010
methyl 4-chloro-4,4-difluoro-2-formamido-3-hydroxy-3-phenylbutanoate
CID 4050631
methyl (2S,3S)-4-chloro-4,4-difluoro-2-formamido-3-hydroxy-3-phenylbutanoate
CID 2303356
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877
(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid
CID 106702814
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
2-chloro-3-hydroxy-3,3-diphenylpropanoic acid
CID 87898633
3-amino-2-fluoro-2-phenylbutanoic acid
CID 67114338
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233
(2S,3S)-4,4,5,5,6,6,7,7,7-nonafluoro-3-hydroxy-2-methyl-3-phenylheptanamide
CID 132934571

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid?
The IUPAC name of (2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid (CID 10611751) is (2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid.
What is the SMILES notation for (2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid?
The canonical SMILES for (2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid is N[C@@H](C(=O)O)[C@](O)(c1ccccc1)C(F)(F)Cl.
What is the InChIKey of (2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid?
The InChIKey is OUOCONUWHPRCNV-IONNQARKSA-N. The full InChI is InChI=1S/C10H10ClF2NO3/c11-10(12,13)9(17,7(14)8(15)16)6-4-2-1-3-5-6/h1-5,7,17H,14H2,(H,15,16)/t7-,9+/m0/s1.
What are the key properties of (2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid?
(2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid has a molecular weight of 265.64 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid is sourced from PubChem (CID 10611751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).