2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid

C9H9F2NO3 — CID 84682427

IUPAC2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
SMILESNC(C(=O)O)c1cc(C(F)F)ccc1O
InChIInChI=1S/C9H9F2NO3/c10-8(11)4-1-2-6(13)5(3-4)7(12)9(14)15/h1-3,7-8,13H,12H2,(H,14,15)
InChIKeyDCUDCUZSNLTJJW-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.41
Rot. Bonds3

About 2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid

2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid (PubChem CID 84682427) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
PubChem CID84682427
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
SMILESNC(C(=O)O)c1cc(C(F)F)ccc1O
InChIInChI=1S/C9H9F2NO3/c10-8(11)4-1-2-6(13)5(3-4)7(12)9(14)15/h1-3,7-8,13H,12H2,(H,14,15)
InChIKeyDCUDCUZSNLTJJW-UHFFFAOYSA-N
XLogP1.41
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(S)-amino(carboxy)methyl]-4-hydroxybenzoic acid
CID 66512316
2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84694277
3-[3-[(S)-amino(carboxy)methyl]-4-hydroxyphenyl]propanoic acid
CID 66513089
(2S)-2-amino-2-(3,4-dihydroxyphenyl)acetic acid
CID 5310986
1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one
CID 131394364
(2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetic acid
CID 66512842
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 117310466
3-amino-2-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 84691069
2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid
CID 139673271
3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84694286
(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid
CID 11401421

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid?
The IUPAC name of 2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid (CID 84682427) is 2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid?
The canonical SMILES for 2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid is NC(C(=O)O)c1cc(C(F)F)ccc1O.
What is the InChIKey of 2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid?
The InChIKey is DCUDCUZSNLTJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c10-8(11)4-1-2-6(13)5(3-4)7(12)9(14)15/h1-3,7-8,13H,12H2,(H,14,15).
What are the key properties of 2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid?
2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid has a molecular weight of 217.17 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid is sourced from PubChem (CID 84682427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).