1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine

C16H26FNO — CID 173228220

IUPAC1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine
SMILESC=CCCCCC(F)C(N)CCOC1=CCCC=C1
InChIInChI=1S/C16H26FNO/c1-2-3-4-8-11-15(17)16(18)12-13-19-14-9-6-5-7-10-14/h2,6,9-10,15-16H,1,3-5,7-8,11-13,18H2
InChIKeyPYTOEXMHCBDVDK-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.04
Rot. Bonds10

About 1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine

1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine (PubChem CID 173228220) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine
PubChem CID173228220
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine
SMILESC=CCCCCC(F)C(N)CCOC1=CCCC=C1
InChIInChI=1S/C16H26FNO/c1-2-3-4-8-11-15(17)16(18)12-13-19-14-9-6-5-7-10-14/h2,6,9-10,15-16H,1,3-5,7-8,11-13,18H2
InChIKeyPYTOEXMHCBDVDK-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.04
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'}

Analyze 1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine (CID 173228220) is 1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine is C=CCCCCC(F)C(N)CCOC1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine?
The InChIKey is PYTOEXMHCBDVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-2-3-4-8-11-15(17)16(18)12-13-19-14-9-6-5-7-10-14/h2,6,9-10,15-16H,1,3-5,7-8,11-13,18H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine?
1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine has a molecular weight of 267.39 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yloxy-4-fluorodec-9-en-3-amine is sourced from PubChem (CID 173228220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).