4-(trifluoromethyl)cyclohex-3-en-1-imine

C7H8F3N — CID 123723454

IUPAC4-(trifluoromethyl)cyclohex-3-en-1-imine
SMILES[H]/N=C1\CC=C(C(F)(F)F)CC1
InChIInChI=1S/C7H8F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1,11H,2-4H2/b11-6+
InChIKeyDJYHIVWIUXMKDY-IZZDOVSWSA-N
MW163.14 g/mol
LogP2.68
Rot. Bonds

About 4-(trifluoromethyl)cyclohex-3-en-1-imine

4-(trifluoromethyl)cyclohex-3-en-1-imine (PubChem CID 123723454) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)cyclohex-3-en-1-imine.

Molecular Properties

Compound Name4-(trifluoromethyl)cyclohex-3-en-1-imine
PubChem CID123723454
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name4-(trifluoromethyl)cyclohex-3-en-1-imine
SMILES[H]/N=C1\CC=C(C(F)(F)F)CC1
InChIInChI=1S/C7H8F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1,11H,2-4H2/b11-6+
InChIKeyDJYHIVWIUXMKDY-IZZDOVSWSA-N
XLogP2.68
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexa-1,4-dien-1-yl-2,2,2-trifluoroethanimine
CID 123220668
(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123634361
5-Methyl-4-(trifluoromethyl)cyclohex-3-en-1-imine
CID 123793559
2-Fluorocyclohex-3-en-1-imine
CID 123967075
(E)-4-(difluoromethyl)hex-4-en-3-imine
CID 145086064
2-Methylcyclohex-2-en-1-imine
CID 86188348
3-Methylcyclohex-2-en-1-imine
CID 86209398

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)cyclohex-3-en-1-imine?
The IUPAC name of 4-(trifluoromethyl)cyclohex-3-en-1-imine (CID 123723454) is 4-(trifluoromethyl)cyclohex-3-en-1-imine.
What is the SMILES notation for 4-(trifluoromethyl)cyclohex-3-en-1-imine?
The canonical SMILES for 4-(trifluoromethyl)cyclohex-3-en-1-imine is [H]/N=C1\CC=C(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)cyclohex-3-en-1-imine?
The InChIKey is DJYHIVWIUXMKDY-IZZDOVSWSA-N. The full InChI is InChI=1S/C7H8F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1,11H,2-4H2/b11-6+.
What are the key properties of 4-(trifluoromethyl)cyclohex-3-en-1-imine?
4-(trifluoromethyl)cyclohex-3-en-1-imine has a molecular weight of 163.14 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)cyclohex-3-en-1-imine is sourced from PubChem (CID 123723454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).