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

C14H24F3NO — CID 106654840

IUPAC1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1=CCCCCCC1
InChIInChI=1S/C14H24F3NO/c1-2-18-13(10-19-11-14(15,16)17)12-8-6-4-3-5-7-9-12/h8,13,18H,2-7,9-11H2,1H3
InChIKeyITCCUAHWOFFXMZ-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.82
Rot. Bonds6

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

1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 106654840) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID106654840
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1=CCCCCCC1
InChIInChI=1S/C14H24F3NO/c1-2-18-13(10-19-11-14(15,16)17)12-8-6-4-3-5-7-9-12/h8,13,18H,2-7,9-11H2,1H3
InChIKeyITCCUAHWOFFXMZ-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.82
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-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 106654840) is 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ITCCUAHWOFFXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-2-18-13(10-19-11-14(15,16)17)12-8-6-4-3-5-7-9-12/h8,13,18H,2-7,9-11H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 279.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 106654840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).