6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine

C8H10F3N — CID 123479377

IUPAC6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CCC(C(F)(F)F)C1C
InChIInChI=1S/C8H10F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2,4-6,12H,3H2,1H3/b12-7+
InChIKeyHXDIWTWJFFMQIM-KPKJPENVSA-N
MW177.17 g/mol
LogP2.78
Rot. Bonds

About 6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine

6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine (PubChem CID 123479377) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
PubChem CID123479377
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CCC(C(F)(F)F)C1C
InChIInChI=1S/C8H10F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2,4-6,12H,3H2,1H3/b12-7+
InChIKeyHXDIWTWJFFMQIM-KPKJPENVSA-N
XLogP2.78
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Fluoro-4-methylcyclohex-2-en-1-imine
CID 91163671
(E)-(6-fluoro-4,5-dimethylcyclohex-2-en-1-ylidene)hydrazine
CID 91522104
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanimine
CID 118422299
5-Methyl-4-(trifluoromethyl)cyclohex-3-en-1-imine
CID 123793559
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
(Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane
CID 156717512
(Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine
CID 163963041
(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine
CID 174289820
(4E)-2-methyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 176962621
(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142417735
1-Cyclohexa-2,4-dien-1-yl-2,2,2-trifluoroethanimine
CID 148638145
(3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine
CID 162589953

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine?
The IUPAC name of 6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine (CID 123479377) is 6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine.
What is the SMILES notation for 6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine?
The canonical SMILES for 6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine is [H]/N=C1\C=CCC(C(F)(F)F)C1C.
What is the InChIKey of 6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine?
The InChIKey is HXDIWTWJFFMQIM-KPKJPENVSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2,4-6,12H,3H2,1H3/b12-7+.
What are the key properties of 6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine?
6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine has a molecular weight of 177.17 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine is sourced from PubChem (CID 123479377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).