1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C10H16F3NO — CID 103207498

IUPAC1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h4,9H,1-3,5-7,14H2
InChIKeyNUWVRGUQSIJEAL-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.39
Rot. Bonds4

About 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207498) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207498
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h4,9H,1-3,5-7,14H2
InChIKeyNUWVRGUQSIJEAL-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207498) is 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is NUWVRGUQSIJEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h4,9H,1-3,5-7,14H2.
What are the key properties of 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 223.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).