N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine

C10H14F3N — CID 123865859

IUPACN-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
SMILESC/N=C(\C)C1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13/h3,9H,4-6H2,1-2H3/b14-7+
InChIKeyAVEFXTITCIFRAO-VGOFMYFVSA-N
MW205.22 g/mol
LogP3.37
Rot. Bonds1

About N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine

N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine (PubChem CID 123865859) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
PubChem CID123865859
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
SMILESC/N=C(\C)C1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13/h3,9H,4-6H2,1-2H3/b14-7+
InChIKeyAVEFXTITCIFRAO-VGOFMYFVSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.37
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

3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine
CID 70518262
(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine
CID 123848729
4-methyl-7-[4-(trifluoromethyl)cyclohexen-1-yl]-4H-azepine
CID 123985591
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
1-(4,4-difluorocyclohexyl)-N-[(Z)-2,4-dimethylpent-2-enyl]-3-methylbut-2-en-1-imine
CID 129066469
6-[5-(2,2,2-Trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
CID 142832138
7-Methyl-3-(3,3,3-trifluoropropyl)-4,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-2-ium
CID 163734320
2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine
CID 168907083
(3S)-6-(4,4-difluorocyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
CID 169114371
6-(4,4-Difluorocyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
CID 169750390
(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline
CID 170294076

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine (CID 123865859) is N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine is C/N=C(\C)C1=CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine?
The InChIKey is AVEFXTITCIFRAO-VGOFMYFVSA-N. The full InChI is InChI=1S/C10H14F3N/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13/h3,9H,4-6H2,1-2H3/b14-7+.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine?
N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine has a molecular weight of 205.22 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine is sourced from PubChem (CID 123865859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).