2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide

C10H11F4N3O — CID 77032131

IUPAC2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
SMILESCC(Nc1cc(C(F)(F)F)ccc1F)C(N)=NO
InChIInChI=1S/C10H11F4N3O/c1-5(9(15)17-18)16-8-4-6(10(12,13)14)2-3-7(8)11/h2-5,16,18H,1H3,(H2,15,17)
InChIKeyUMEFSODEGIOTEF-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.39
Rot. Bonds3

About 2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide

2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide (PubChem CID 77032131) has the molecular formula C10H11F4N3O and a molecular weight of 265.21 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
PubChem CID77032131
Molecular FormulaC10H11F4N3O
Molecular Weight265.21 g/mol
Exact Mass265.08
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
SMILESCC(Nc1cc(C(F)(F)F)ccc1F)C(N)=NO
InChIInChI=1S/C10H11F4N3O/c1-5(9(15)17-18)16-8-4-6(10(12,13)14)2-3-7(8)11/h2-5,16,18H,1H3,(H2,15,17)
InChIKeyUMEFSODEGIOTEF-UHFFFAOYSA-N
XLogP2.39
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 63036312
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide
CID 63037185
2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide
CID 77025192
N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462426
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 55144774
2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline
CID 55193729
methyl 3-amino-2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 114242293
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide
CID 122674174
tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
CID 103389891
2-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037558

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide (CID 77032131) is 2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide is CC(Nc1cc(C(F)(F)F)ccc1F)C(N)=NO.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide?
The InChIKey is UMEFSODEGIOTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N3O/c1-5(9(15)17-18)16-8-4-6(10(12,13)14)2-3-7(8)11/h2-5,16,18H,1H3,(H2,15,17).
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide?
2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide has a molecular weight of 265.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77032131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).