2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine

C8H11F3N2 — CID 144505445

IUPAC2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine
SMILES[H]/N=C(/C1=C(N)CCCC1)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h13H,1-4,12H2/b13-7-
InChIKeyVTITVXNCMHWNKY-QPEQYQDCSA-N
MW192.18 g/mol
LogP2.36
Rot. Bonds1

About 2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine

2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine (PubChem CID 144505445) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine
PubChem CID144505445
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine
SMILES[H]/N=C(/C1=C(N)CCCC1)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h13H,1-4,12H2/b13-7-
InChIKeyVTITVXNCMHWNKY-QPEQYQDCSA-N
XLogP2.36
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine?
The IUPAC name of 2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine (CID 144505445) is 2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine is [H]/N=C(/C1=C(N)CCCC1)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine?
The InChIKey is VTITVXNCMHWNKY-QPEQYQDCSA-N. The full InChI is InChI=1S/C8H11F3N2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h13H,1-4,12H2/b13-7-.
What are the key properties of 2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine?
2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine has a molecular weight of 192.18 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethanimidoyl)cyclohexen-1-amine is sourced from PubChem (CID 144505445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).