2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C9H7F4NO3 — CID 134658062

IUPAC2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESNc1ccc(C(F)(F)F)c(F)c1C(O)C(=O)O
InChIInChI=1S/C9H7F4NO3/c10-6-3(9(11,12)13)1-2-4(14)5(6)7(15)8(16)17/h1-2,7,15H,14H2,(H,16,17)
InChIKeyNNGUOOIUKFZHQZ-UHFFFAOYSA-N
MW253.15 g/mol
LogP1.54
Rot. Bonds2

About 2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 134658062) has the molecular formula C9H7F4NO3 and a molecular weight of 253.15 g/mol. Its IUPAC name is 2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID134658062
Molecular FormulaC9H7F4NO3
Molecular Weight253.15 g/mol
Exact Mass253.04
IUPAC Name2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESNc1ccc(C(F)(F)F)c(F)c1C(O)C(=O)O
InChIInChI=1S/C9H7F4NO3/c10-6-3(9(11,12)13)1-2-4(14)5(6)7(15)8(16)17/h1-2,7,15H,14H2,(H,16,17)
InChIKeyNNGUOOIUKFZHQZ-UHFFFAOYSA-N
XLogP1.54
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655848
(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 57032402
2,3-difluoro-4-(trifluoromethyl)aniline
CID 2735902
2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655874
2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118995986
(2S)-2-amino-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66513387
2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118997873
2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
CID 118830529
2-[2,3-dihydroxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117383098
2-hydroxy-2-[6-nitro-2,3-bis(trifluoromethyl)phenyl]acetic acid
CID 119002692
2-[2,6-diamino-3-(trifluoromethyl)phenyl]-3,3,3-trifluoropropanoate
CID 23049422
2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 46313392

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 134658062) is 2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is Nc1ccc(C(F)(F)F)c(F)c1C(O)C(=O)O.
What is the InChIKey of 2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is NNGUOOIUKFZHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO3/c10-6-3(9(11,12)13)1-2-4(14)5(6)7(15)8(16)17/h1-2,7,15H,14H2,(H,16,17).
What are the key properties of 2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 253.15 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134658062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).