N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine

C8H10F3N — CID 162585457

IUPACN-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine
SMILESC=NC1C=CC(C(F)(F)F)CC1
InChIInChI=1S/C8H10F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2,4,6-7H,1,3,5H2
InChIKeyGTUFBVLOQCGEQZ-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.58
Rot. Bonds1

About N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine

N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine (PubChem CID 162585457) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine
PubChem CID162585457
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC NameN-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine
SMILESC=NC1C=CC(C(F)(F)F)CC1
InChIInChI=1S/C8H10F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2,4,6-7H,1,3,5H2
InChIKeyGTUFBVLOQCGEQZ-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.58
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine?
The IUPAC name of N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine (CID 162585457) is N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine is C=NC1C=CC(C(F)(F)F)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine?
The InChIKey is GTUFBVLOQCGEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2,4,6-7H,1,3,5H2.
What are the key properties of N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine?
N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine has a molecular weight of 177.17 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohex-2-en-1-yl]methanimine is sourced from PubChem (CID 162585457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).