2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid

C10H9ClF3NO2 — CID 53402028

IUPAC2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid
SMILESNC(C(=O)O)C(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO2/c11-6-3-1-5(2-4-6)7(10(12,13)14)8(15)9(16)17/h1-4,7-8H,15H2,(H,16,17)
InChIKeyVMSKLGQKRAXYQH-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid

2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid (PubChem CID 53402028) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid
PubChem CID53402028
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid
SMILESNC(C(=O)O)C(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO2/c11-6-3-1-5(2-4-6)7(10(12,13)14)8(15)9(16)17/h1-4,7-8H,15H2,(H,16,17)
InChIKeyVMSKLGQKRAXYQH-UHFFFAOYSA-N
XLogP2.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid
CID 12799522
2-amino-3-(4-chlorophenyl)butanoic acid
CID 12743550
methyl 2-amino-4,4,4-trifluoro-3-phenylbutanoate
CID 68725831
2-(4-chlorophenyl)-2-fluoroacetic acid
CID 12602113
(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 131607985
2-amino-3-(3-chloro-4-fluorophenyl)-3-hydroxypropanoic acid
CID 81155550
1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309498
(2S)-3-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
CID 156800867
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
3-amino-2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 67538089
2-[4-(4-chlorophenyl)phenyl]-2-hydroxyacetic acid
CID 19793104
potassium (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 101446310

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid?
The IUPAC name of 2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid (CID 53402028) is 2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid is NC(C(=O)O)C(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid?
The InChIKey is VMSKLGQKRAXYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c11-6-3-1-5(2-4-6)7(10(12,13)14)8(15)9(16)17/h1-4,7-8H,15H2,(H,16,17).
What are the key properties of 2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid?
2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid has a molecular weight of 267.63 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 53402028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).