N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine

C10H10F3N — CID 23198812

IUPACN-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine
SMILESC/N=C/Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N/c1-14-6-5-8-3-2-4-9(7-8)10(11,12)13/h2-4,6-7H,5H2,1H3/b14-6+
InChIKeyXIMNHPHDDJQCDQ-MKMNVTDBSA-N
MW201.19 g/mol
LogP2.95
Rot. Bonds2

About N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine

N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine (PubChem CID 23198812) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine
PubChem CID23198812
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC NameN-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine
SMILESC/N=C/Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N/c1-14-6-5-8-3-2-4-9(7-8)10(11,12)13/h2-4,6-7H,5H2,1H3/b14-6+
InChIKeyXIMNHPHDDJQCDQ-MKMNVTDBSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methanamine, N-(phenylmethylene)-
CID 73954
Ethanamine, N-(phenylmethylene)-
CID 111239
N-Benzylidenepropylamine
CID 250250
Phenethylamine, N-(2,2,3,3,4,4,4-heptafluorobutylidene)-
CID 563360
Phenethylamine, N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylidene)-
CID 564143
(R)-N-(2,2-Difluoroethylidene)-1-phenylethylamine
CID 2758283
N-methyliminopropylbenzene
CID 11506476
(NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine
CID 155530985
(Z)-tert-butyl[3-(trifluoromethyl)benzylidene]azane oxide
CID 15748959
N-(3-Trifluoromethylbenzylidene)methylamine
CID 11019597
Benzaldehyde, m-trifluoromethyl-, oxime, sodium salt
CID 23704121
CID 5395688
CID 5395688

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine (CID 23198812) is N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine is C/N=C/Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is XIMNHPHDDJQCDQ-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H10F3N/c1-14-6-5-8-3-2-4-9(7-8)10(11,12)13/h2-4,6-7H,5H2,1H3/b14-6+.
What are the key properties of N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine?
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 201.19 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 23198812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).