2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid

C10H8ClF2NO3 — CID 57020731

IUPAC2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid
SMILESNC(=O)Cc1ccc(Cl)cc1C(F)(F)C(=O)O
InChIInChI=1S/C10H8ClF2NO3/c11-6-2-1-5(3-8(14)15)7(4-6)10(12,13)9(16)17/h1-2,4H,3H2,(H2,14,15)(H,16,17)
InChIKeyFAZCFAXDTXDQIT-UHFFFAOYSA-N
MW263.63 g/mol
LogP1.54
Rot. Bonds4

About 2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid

2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid (PubChem CID 57020731) has the molecular formula C10H8ClF2NO3 and a molecular weight of 263.63 g/mol. Its IUPAC name is 2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid
PubChem CID57020731
Molecular FormulaC10H8ClF2NO3
Molecular Weight263.63 g/mol
Exact Mass263.02
IUPAC Name2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid
SMILESNC(=O)Cc1ccc(Cl)cc1C(F)(F)C(=O)O
InChIInChI=1S/C10H8ClF2NO3/c11-6-2-1-5(3-8(14)15)7(4-6)10(12,13)9(16)17/h1-2,4H,3H2,(H2,14,15)(H,16,17)
InChIKeyFAZCFAXDTXDQIT-UHFFFAOYSA-N
XLogP1.54
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.63
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
CID 162738006
2-[5-chloro-2-(chloromethyl)phenyl]acetamide
CID 90923910
2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid
CID 57078836
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399
4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid
CID 117108466
2-(2,5-difluorophenyl)acetamide
CID 21245498
3-bromo-4-[4-chloro-2-(trifluoromethyl)phenyl]butan-2-one
CID 55071546
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid
CID 103050181
2-bromo-1-[4-chloro-2-(trifluoromethyl)phenyl]-4,4-dimethylpentan-3-one
CID 63489757
2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid
CID 69113345

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid?
The IUPAC name of 2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid (CID 57020731) is 2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid.
What is the SMILES notation for 2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid?
The canonical SMILES for 2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid is NC(=O)Cc1ccc(Cl)cc1C(F)(F)C(=O)O.
What is the InChIKey of 2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid?
The InChIKey is FAZCFAXDTXDQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO3/c11-6-2-1-5(3-8(14)15)7(4-6)10(12,13)9(16)17/h1-2,4H,3H2,(H2,14,15)(H,16,17).
What are the key properties of 2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid?
2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid has a molecular weight of 263.63 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid is sourced from PubChem (CID 57020731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).