1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

C13H22F3NO — CID 103207523

IUPAC1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C13H22F3NO/c1-2-17-12(9-18-10-13(14,15)16)11-7-5-3-4-6-8-11/h7,12,17H,2-6,8-10H2,1H3
InChIKeyAJTBTHXGEYWZTO-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.43
Rot. Bonds6

About 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207523) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207523
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C13H22F3NO/c1-2-17-12(9-18-10-13(14,15)16)11-7-5-3-4-6-8-11/h7,12,17H,2-6,8-10H2,1H3
InChIKeyAJTBTHXGEYWZTO-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207502
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103207504
1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207505
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207506
1-(cyclohexen-1-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207507
1-(cyclopenten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207511
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207512
1-(cyclopenten-1-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207513
1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207514

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207523) is 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is AJTBTHXGEYWZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-17-12(9-18-10-13(14,15)16)11-7-5-3-4-6-8-11/h7,12,17H,2-6,8-10H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 265.32 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).