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

C12H20F3NO — CID 103207520

IUPAC1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C12H20F3NO/c1-16-11(8-17-9-12(13,14)15)10-6-4-2-3-5-7-10/h6,11,16H,2-5,7-9H2,1H3
InChIKeyUBIHBSCJEWZICT-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.04
Rot. Bonds5

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

1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207520) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207520
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C12H20F3NO/c1-16-11(8-17-9-12(13,14)15)10-6-4-2-3-5-7-10/h6,11,16H,2-5,7-9H2,1H3
InChIKeyUBIHBSCJEWZICT-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.04
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)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207508
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207520) is 1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is UBIHBSCJEWZICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-16-11(8-17-9-12(13,14)15)10-6-4-2-3-5-7-10/h6,11,16H,2-5,7-9H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 251.29 g/mol, XLogP of 3.04, 5 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-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).