1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine

C16H29F2N — CID 107011807

IUPAC1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine
SMILESC=CCCCCCC(NCC)C1CCC(F)(F)CC1
InChIInChI=1S/C16H29F2N/c1-3-5-6-7-8-9-15(19-4-2)14-10-12-16(17,18)13-11-14/h3,14-15,19H,1,4-13H2,2H3
InChIKeyGVZLSXSYQVXNNJ-UHFFFAOYSA-N
MW273.41 g/mol
LogP4.93
Rot. Bonds9

About 1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine

1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine (PubChem CID 107011807) has the molecular formula C16H29F2N and a molecular weight of 273.41 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine
PubChem CID107011807
Molecular FormulaC16H29F2N
Molecular Weight273.41 g/mol
Exact Mass273.23
IUPAC Name1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine
SMILESC=CCCCCCC(NCC)C1CCC(F)(F)CC1
InChIInChI=1S/C16H29F2N/c1-3-5-6-7-8-9-15(19-4-2)14-10-12-16(17,18)13-11-14/h3,14-15,19H,1,4-13H2,2H3
InChIKeyGVZLSXSYQVXNNJ-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine (CID 107011807) is 1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine is C=CCCCCCC(NCC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine?
The InChIKey is GVZLSXSYQVXNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2N/c1-3-5-6-7-8-9-15(19-4-2)14-10-12-16(17,18)13-11-14/h3,14-15,19H,1,4-13H2,2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine?
1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine has a molecular weight of 273.41 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-ethyloct-7-en-1-amine is sourced from PubChem (CID 107011807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).