1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine

C16H29F2NO — CID 106654804

IUPAC1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCC(F)F)C1=CCCCCCC1
InChIInChI=1S/C16H29F2NO/c1-2-11-19-15(10-12-20-13-16(17)18)14-8-6-4-3-5-7-9-14/h8,15-16,19H,2-7,9-13H2,1H3
InChIKeyVYJPKDJTNHBXTQ-UHFFFAOYSA-N
MW289.41 g/mol
LogP4.31
Rot. Bonds9

About 1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine

1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine (PubChem CID 106654804) has the molecular formula C16H29F2NO and a molecular weight of 289.41 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
PubChem CID106654804
Molecular FormulaC16H29F2NO
Molecular Weight289.41 g/mol
Exact Mass289.22
IUPAC Name1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCC(F)F)C1=CCCCCCC1
InChIInChI=1S/C16H29F2NO/c1-2-11-19-15(10-12-20-13-16(17)18)14-8-6-4-3-5-7-9-14/h8,15-16,19H,2-7,9-13H2,1H3
InChIKeyVYJPKDJTNHBXTQ-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 106654785
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207512
N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine
CID 106652812
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170
N-[1-(cyclohepten-1-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106653153
[1-(cycloocten-1-yl)-3-ethoxypropyl]hydrazine
CID 106650004
N-[1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207516
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
[1-(cyclohexen-1-yl)-2-propoxyethyl]hydrazine
CID 106648755
N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
CID 63505316
1-(cyclopenten-1-yl)-3-cyclopentyl-N-propylpropan-1-amine
CID 55196271

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine (CID 106654804) is 1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine is CCCNC(CCOCC(F)F)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine?
The InChIKey is VYJPKDJTNHBXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2NO/c1-2-11-19-15(10-12-20-13-16(17)18)14-8-6-4-3-5-7-9-14/h8,15-16,19H,2-7,9-13H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine?
1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine has a molecular weight of 289.41 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 106654804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).