1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine

C8H12F3N — CID 62079374

IUPAC1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1=CCCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h4,7H,1-3,5,12H2
InChIKeyZHRVTRBNZYNUNW-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.38
Rot. Bonds1

About 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine

1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine (PubChem CID 62079374) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine
PubChem CID62079374
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1=CCCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h4,7H,1-3,5,12H2
InChIKeyZHRVTRBNZYNUNW-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine (CID 62079374) is 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine is NC(C1=CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine?
The InChIKey is ZHRVTRBNZYNUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h4,7H,1-3,5,12H2.
What are the key properties of 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine?
1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine has a molecular weight of 179.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62079374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).