2-(cycloocten-1-yl)-2-fluoroethanamine

C10H18FN — CID 106655011

IUPAC2-(cycloocten-1-yl)-2-fluoroethanamine
SMILESNCC(F)C1=CCCCCCC1
InChIInChI=1S/C10H18FN/c11-10(8-12)9-6-4-2-1-3-5-7-9/h6,10H,1-5,7-8,12H2
InChIKeyXEUJOJQJJICXPK-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.56
Rot. Bonds2

About 2-(cycloocten-1-yl)-2-fluoroethanamine

2-(cycloocten-1-yl)-2-fluoroethanamine (PubChem CID 106655011) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-(cycloocten-1-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(cycloocten-1-yl)-2-fluoroethanamine
PubChem CID106655011
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-(cycloocten-1-yl)-2-fluoroethanamine
SMILESNCC(F)C1=CCCCCCC1
InChIInChI=1S/C10H18FN/c11-10(8-12)9-6-4-2-1-3-5-7-9/h6,10H,1-5,7-8,12H2
InChIKeyXEUJOJQJJICXPK-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloocten-1-yl)-2-fluoroethanamine?
The IUPAC name of 2-(cycloocten-1-yl)-2-fluoroethanamine (CID 106655011) is 2-(cycloocten-1-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(cycloocten-1-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(cycloocten-1-yl)-2-fluoroethanamine is NCC(F)C1=CCCCCCC1.
What is the InChIKey of 2-(cycloocten-1-yl)-2-fluoroethanamine?
The InChIKey is XEUJOJQJJICXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c11-10(8-12)9-6-4-2-1-3-5-7-9/h6,10H,1-5,7-8,12H2.
What are the key properties of 2-(cycloocten-1-yl)-2-fluoroethanamine?
2-(cycloocten-1-yl)-2-fluoroethanamine has a molecular weight of 171.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloocten-1-yl)-2-fluoroethanamine is sourced from PubChem (CID 106655011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).