4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine

C14H26FNO — CID 106655076

IUPAC4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1=CCCCCCC1
InChIInChI=1S/C14H26FNO/c1-17-12-14(15,10-7-11-16)13-8-5-3-2-4-6-9-13/h8H,2-7,9-12,16H2,1H3
InChIKeyLCTWHOLWYLZSOY-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.36
Rot. Bonds6

About 4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine

4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 106655076) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID106655076
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1=CCCCCCC1
InChIInChI=1S/C14H26FNO/c1-17-12-14(15,10-7-11-16)13-8-5-3-2-4-6-9-13/h8H,2-7,9-12,16H2,1H3
InChIKeyLCTWHOLWYLZSOY-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-4-(methoxymethyl)-6-methylhept-5-en-1-amine
CID 103392510
4-(Cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine
CID 106655075
4-(Cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine
CID 106655077

Frequently Asked Questions

What is the IUPAC name of 4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine (CID 106655076) is 4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)C1=CCCCCCC1.
What is the InChIKey of 4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is LCTWHOLWYLZSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c1-17-12-14(15,10-7-11-16)13-8-5-3-2-4-6-9-13/h8H,2-7,9-12,16H2,1H3.
What are the key properties of 4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine?
4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 243.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 106655076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).