1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C13H21F4NO — CID 106654843

IUPAC1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)C1=CCCCCCC1
InChIInChI=1S/C13H21F4NO/c14-12(15)13(16,17)9-19-8-11(18)10-6-4-2-1-3-5-7-10/h6,11-12H,1-5,7-9,18H2
InChIKeyLBHSMRKOPMDHFD-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.51
Rot. Bonds6

About 1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 106654843) has the molecular formula C13H21F4NO and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID106654843
Molecular FormulaC13H21F4NO
Molecular Weight283.31 g/mol
Exact Mass283.16
IUPAC Name1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)C1=CCCCCCC1
InChIInChI=1S/C13H21F4NO/c14-12(15)13(16,17)9-19-8-11(18)10-6-4-2-1-3-5-7-10/h6,11-12H,1-5,7-9,18H2
InChIKeyLBHSMRKOPMDHFD-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654846
1-(cyclohexen-1-yl)-2-ethoxyethanamine
CID 106653369
1-(cyclohepten-1-yl)-2-propoxyethanamine
CID 106652723
1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657502
[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 106649725
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
2-(cycloocten-1-yl)-2-fluoroethanamine
CID 106655011
1-(cyclohepten-1-yl)-4-ethoxybutan-1-amine
CID 106657181
1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475112
(1R)-1-(cyclopenten-1-yl)propan-1-amine
CID 82763490
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 106654843) is 1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is NC(COCC(F)(F)C(F)F)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is LBHSMRKOPMDHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F4NO/c14-12(15)13(16,17)9-19-8-11(18)10-6-4-2-1-3-5-7-10/h6,11-12H,1-5,7-9,18H2.
What are the key properties of 1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 283.31 g/mol, XLogP of 3.51, 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)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 106654843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).