8-fluorooctan-1-amine

C8H18FN — CID 11628

IUPAC8-fluorooctan-1-amine
SMILESNCCCCCCCCF
InChIInChI=1S/C8H18FN/c9-7-5-3-1-2-4-6-8-10/h1-8,10H2
InChIKeyNPLDZILAMGNJQI-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.26
Rot. Bonds7

About 8-fluorooctan-1-amine

8-fluorooctan-1-amine (PubChem CID 11628) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is 8-fluorooctan-1-amine.

Molecular Properties

Compound Name8-fluorooctan-1-amine
PubChem CID11628
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name8-fluorooctan-1-amine
SMILESNCCCCCCCCF
InChIInChI=1S/C8H18FN/c9-7-5-3-1-2-4-6-8-10/h1-8,10H2
InChIKeyNPLDZILAMGNJQI-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluorooctan-1-amine?
The IUPAC name of 8-fluorooctan-1-amine (CID 11628) is 8-fluorooctan-1-amine.
What is the SMILES notation for 8-fluorooctan-1-amine?
The canonical SMILES for 8-fluorooctan-1-amine is NCCCCCCCCF.
What is the InChIKey of 8-fluorooctan-1-amine?
The InChIKey is NPLDZILAMGNJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c9-7-5-3-1-2-4-6-8-10/h1-8,10H2.
What are the key properties of 8-fluorooctan-1-amine?
8-fluorooctan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorooctan-1-amine is sourced from PubChem (CID 11628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).