N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C15H26F3NO — CID 106654841

IUPACN-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1=CCCCCCC1
InChIInChI=1S/C15H26F3NO/c1-2-10-19-14(11-20-12-15(16,17)18)13-8-6-4-3-5-7-9-13/h8,14,19H,2-7,9-12H2,1H3
InChIKeyGTVHLYUSFCKHFO-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.21
Rot. Bonds7

About N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 106654841) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID106654841
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1=CCCCCCC1
InChIInChI=1S/C15H26F3NO/c1-2-10-19-14(11-20-12-15(16,17)18)13-8-6-4-3-5-7-9-13/h8,14,19H,2-7,9-12H2,1H3
InChIKeyGTVHLYUSFCKHFO-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.21
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 N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 106654841) is N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)C1=CCCCCCC1.
What is the InChIKey of N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is GTVHLYUSFCKHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-10-19-14(11-20-12-15(16,17)18)13-8-6-4-3-5-7-9-13/h8,14,19H,2-7,9-12H2,1H3.
What are the key properties of N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cycloocten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 106654841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).