3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine

C14H24FN — CID 106655057

IUPAC3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(C2=CCCCCCC2)C1
InChIInChI=1S/C14H24FN/c15-14(10-6-9-13(16)11-14)12-7-4-2-1-3-5-8-12/h7,13H,1-6,8-11,16H2
InChIKeyNXJYGZYLRFRDDI-UHFFFAOYSA-N
MW225.35 g/mol
LogP3.88
Rot. Bonds1

About 3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine

3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine (PubChem CID 106655057) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine
PubChem CID106655057
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(C2=CCCCCCC2)C1
InChIInChI=1S/C14H24FN/c15-14(10-6-9-13(16)11-14)12-7-4-2-1-3-5-8-12/h7,13H,1-6,8-11,16H2
InChIKeyNXJYGZYLRFRDDI-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.88
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 3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine?
The IUPAC name of 3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine (CID 106655057) is 3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine.
What is the SMILES notation for 3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine?
The canonical SMILES for 3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine is NC1CCCC(F)(C2=CCCCCCC2)C1.
What is the InChIKey of 3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine?
The InChIKey is NXJYGZYLRFRDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN/c15-14(10-6-9-13(16)11-14)12-7-4-2-1-3-5-8-12/h7,13H,1-6,8-11,16H2.
What are the key properties of 3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine?
3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine has a molecular weight of 225.35 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloocten-1-yl)-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 106655057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).