2-(fluoromethyl)azocane

C8H16FN — CID 170142115

IUPAC2-(fluoromethyl)azocane
SMILESFCC1CCCCCCN1
InChIInChI=1S/C8H16FN/c9-7-8-5-3-1-2-4-6-10-8/h8,10H,1-7H2
InChIKeyJUIKEPPBFWMNEI-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.88
Rot. Bonds1

About 2-(fluoromethyl)azocane

2-(fluoromethyl)azocane (PubChem CID 170142115) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 2-(fluoromethyl)azocane.

Molecular Properties

Compound Name2-(fluoromethyl)azocane
PubChem CID170142115
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name2-(fluoromethyl)azocane
SMILESFCC1CCCCCCN1
InChIInChI=1S/C8H16FN/c9-7-8-5-3-1-2-4-6-10-8/h8,10H,1-7H2
InChIKeyJUIKEPPBFWMNEI-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)azocane?
The IUPAC name of 2-(fluoromethyl)azocane (CID 170142115) is 2-(fluoromethyl)azocane.
What is the SMILES notation for 2-(fluoromethyl)azocane?
The canonical SMILES for 2-(fluoromethyl)azocane is FCC1CCCCCCN1.
What is the InChIKey of 2-(fluoromethyl)azocane?
The InChIKey is JUIKEPPBFWMNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c9-7-8-5-3-1-2-4-6-10-8/h8,10H,1-7H2.
What are the key properties of 2-(fluoromethyl)azocane?
2-(fluoromethyl)azocane has a molecular weight of 145.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)azocane is sourced from PubChem (CID 170142115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).