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

C13H22FN — CID 106655054

IUPAC2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine
SMILESNCC(F)(C1=CCCCCCC1)C1CC1
InChIInChI=1S/C13H22FN/c14-13(10-15,12-8-9-12)11-6-4-2-1-3-5-7-11/h6,12H,1-5,7-10,15H2
InChIKeyNWTNWXONYRWFQA-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.34
Rot. Bonds3

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

2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine (PubChem CID 106655054) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine.

Molecular Properties

Compound Name2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine
PubChem CID106655054
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine
SMILESNCC(F)(C1=CCCCCCC1)C1CC1
InChIInChI=1S/C13H22FN/c14-13(10-15,12-8-9-12)11-6-4-2-1-3-5-7-11/h6,12H,1-5,7-10,15H2
InChIKeyNWTNWXONYRWFQA-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.34
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-cyclopropyl-2-fluoroethanamine?
The IUPAC name of 2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine (CID 106655054) is 2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine.
What is the SMILES notation for 2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine?
The canonical SMILES for 2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine is NCC(F)(C1=CCCCCCC1)C1CC1.
What is the InChIKey of 2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine?
The InChIKey is NWTNWXONYRWFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c14-13(10-15,12-8-9-12)11-6-4-2-1-3-5-7-11/h6,12H,1-5,7-10,15H2.
What are the key properties of 2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine?
2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine has a molecular weight of 211.32 g/mol, XLogP of 3.34, 3 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-cyclopropyl-2-fluoroethanamine is sourced from PubChem (CID 106655054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).