N-methyl-4-(trifluoromethyl)benzenecarboximidate

C9H7F3NO- — CID 58832425

IUPACN-methyl-4-(trifluoromethyl)benzenecarboximidate
SMILESC/N=C(\[O-])c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO/c1-13-8(14)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3,(H,13,14)/p-1
InChIKeyPETVNYBGUYXLNT-UHFFFAOYSA-M
MW202.16 g/mol
LogP1.44
Rot. Bonds1

About N-methyl-4-(trifluoromethyl)benzenecarboximidate

N-methyl-4-(trifluoromethyl)benzenecarboximidate (PubChem CID 58832425) has the molecular formula C9H7F3NO- and a molecular weight of 202.16 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)benzenecarboximidate.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)benzenecarboximidate
PubChem CID58832425
Molecular FormulaC9H7F3NO-
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC NameN-methyl-4-(trifluoromethyl)benzenecarboximidate
SMILESC/N=C(\[O-])c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO/c1-13-8(14)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3,(H,13,14)/p-1
InChIKeyPETVNYBGUYXLNT-UHFFFAOYSA-M
XLogP1.44
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide
CID 61363431
2-methyl-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 141194647
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine
CID 130239193
N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate
CID 59280725
N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 139245860
4-(trifluoromethyl)benzoate;tris(4-tert-butylphenyl)sulfanium
CID 161087334
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11300013
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine
CID 177400507
N-(1-aminoethylidene)-4-(trifluoromethyl)benzamide
CID 142003582
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
CID 141127548
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine
CID 155275361

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)benzenecarboximidate?
The IUPAC name of N-methyl-4-(trifluoromethyl)benzenecarboximidate (CID 58832425) is N-methyl-4-(trifluoromethyl)benzenecarboximidate.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)benzenecarboximidate?
The canonical SMILES for N-methyl-4-(trifluoromethyl)benzenecarboximidate is C/N=C(\[O-])c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-4-(trifluoromethyl)benzenecarboximidate?
The InChIKey is PETVNYBGUYXLNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8F3NO/c1-13-8(14)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3,(H,13,14)/p-1.
What are the key properties of N-methyl-4-(trifluoromethyl)benzenecarboximidate?
N-methyl-4-(trifluoromethyl)benzenecarboximidate has a molecular weight of 202.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)benzenecarboximidate is sourced from PubChem (CID 58832425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).