1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H22F3NO — CID 103207505

IUPAC1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C13H22F3NO/c1-2-17-12(11-6-4-3-5-7-11)8-9-18-10-13(14,15)16/h6,12,17H,2-5,7-10H2,1H3
InChIKeyWQALYXIYIUUVFR-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.43
Rot. Bonds7

About 1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103207505) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103207505
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C13H22F3NO/c1-2-17-12(11-6-4-3-5-7-11)8-9-18-10-13(14,15)16/h6,12,17H,2-5,7-10H2,1H3
InChIKeyWQALYXIYIUUVFR-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103207505) is 1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCNC(CCOCC(F)(F)F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is WQALYXIYIUUVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-17-12(11-6-4-3-5-7-11)8-9-18-10-13(14,15)16/h6,12,17H,2-5,7-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103207505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).