2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid

C10H9F2NO2 — CID 154015750

IUPAC2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid
SMILESO=C(O)C/N=C/c1ccccc1C(F)F
InChIInChI=1S/C10H9F2NO2/c11-10(12)8-4-2-1-3-7(8)5-13-6-9(14)15/h1-5,10H,6H2,(H,14,15)/b13-5+
InChIKeyFPOIPEOSPCDXRR-WLRTZDKTSA-N
MW213.18 g/mol
LogP2.13
Rot. Bonds4

About 2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid

2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid (PubChem CID 154015750) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid
PubChem CID154015750
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid
SMILESO=C(O)C/N=C/c1ccccc1C(F)F
InChIInChI=1S/C10H9F2NO2/c11-10(12)8-4-2-1-3-7(8)5-13-6-9(14)15/h1-5,10H,6H2,(H,14,15)/b13-5+
InChIKeyFPOIPEOSPCDXRR-WLRTZDKTSA-N
XLogP2.13
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid
CID 10400412
((1-Phenylethylidene)amino)acetic acid
CID 276779
2-[(2-Propan-2-ylphenyl)methylideneamino]acetic acid
CID 1092638
N-[4-(Trifluoromethyl)benzylidene]glycine ethyl ester
CID 11010696
Methyl (E)-N-[(p-fluorophenyl)methylene]glycinate
CID 11275592
Methyl 2-[4-(trifluoromethyl)benzylideneamino]ethanoate
CID 12118003
Methyl 2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate
CID 134862378
2-[(4-Fluorophenyl)methylideneamino]propanoic acid
CID 90895765
(E)-2-(Benzylideneamino)propanoic acid
CID 276778
Methyl 2-[(2-methylphenyl)methylideneamino]acetate
CID 11034770
N-Benzylideneglycine
CID 12560745
CID 13317486
CID 13317486

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid?
The IUPAC name of 2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid (CID 154015750) is 2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid.
What is the SMILES notation for 2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid?
The canonical SMILES for 2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid is O=C(O)C/N=C/c1ccccc1C(F)F.
What is the InChIKey of 2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid?
The InChIKey is FPOIPEOSPCDXRR-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-10(12)8-4-2-1-3-7(8)5-13-6-9(14)15/h1-5,10H,6H2,(H,14,15)/b13-5+.
What are the key properties of 2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid?
2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid has a molecular weight of 213.18 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethyl)phenyl]methylideneamino]acetic acid is sourced from PubChem (CID 154015750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).