N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide

C10H7F5N2O — CID 142087285

IUPACN-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide
SMILESCNc1ccc(F)c(F)c1/C(=N/C=O)C(F)(F)F
InChIInChI=1S/C10H7F5N2O/c1-16-6-3-2-5(11)8(12)7(6)9(17-4-18)10(13,14)15/h2-4,16H,1H3/b17-9-
InChIKeyPNWYTRBMLBFDAL-MFOYZWKCSA-N
MW266.17 g/mol
LogP2.51
Rot. Bonds3

About N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide

N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide (PubChem CID 142087285) has the molecular formula C10H7F5N2O and a molecular weight of 266.17 g/mol. Its IUPAC name is N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide.

Molecular Properties

Compound NameN-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide
PubChem CID142087285
Molecular FormulaC10H7F5N2O
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC NameN-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide
SMILESCNc1ccc(F)c(F)c1/C(=N/C=O)C(F)(F)F
InChIInChI=1S/C10H7F5N2O/c1-16-6-3-2-5(11)8(12)7(6)9(17-4-18)10(13,14)15/h2-4,16H,1H3/b17-9-
InChIKeyPNWYTRBMLBFDAL-MFOYZWKCSA-N
XLogP2.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2,3,4-trifluoro-N-methylaniline
CID 157043663
2,4-difluoro-N,3-dimethylaniline
CID 134441747
2,3-difluoro-4-(methylamino)benzaldehyde
CID 141426329
[3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane
CID 143450651
N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide
CID 110481225
4-fluoro-N,2,3-trimethylaniline
CID 155403467
2,3-difluoro-N-methylaniline
CID 50998712
4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91332262
2-hydroxy-3-(methylamino)-6-(trifluoromethyl)benzaldehyde
CID 143077313
N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 28574383
2-fluoro-4-isocyanato-N-methylaniline
CID 83383237
ethyl 2,3-difluoro-6-(trifluoromethyl)benzoate
CID 18792115

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide?
The IUPAC name of N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide (CID 142087285) is N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide.
What is the SMILES notation for N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide?
The canonical SMILES for N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide is CNc1ccc(F)c(F)c1/C(=N/C=O)C(F)(F)F.
What is the InChIKey of N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide?
The InChIKey is PNWYTRBMLBFDAL-MFOYZWKCSA-N. The full InChI is InChI=1S/C10H7F5N2O/c1-16-6-3-2-5(11)8(12)7(6)9(17-4-18)10(13,14)15/h2-4,16H,1H3/b17-9-.
What are the key properties of N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide?
N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide has a molecular weight of 266.17 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,3-difluoro-6-(methylamino)phenyl]-2,2,2-trifluoroethylidene]formamide is sourced from PubChem (CID 142087285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).