6-fluorohexan-1-amine

C6H14FN — CID 10025

IUPAC6-fluorohexan-1-amine
SMILESNCCCCCCF
InChIInChI=1S/C6H14FN/c7-5-3-1-2-4-6-8/h1-6,8H2
InChIKeyAUEOTIKUFDLLHS-UHFFFAOYSA-N
MW119.18 g/mol
LogP1.48
Rot. Bonds5

About 6-fluorohexan-1-amine

6-fluorohexan-1-amine (PubChem CID 10025) has the molecular formula C6H14FN and a molecular weight of 119.18 g/mol. Its IUPAC name is 6-fluorohexan-1-amine.

Molecular Properties

Compound Name6-fluorohexan-1-amine
PubChem CID10025
Molecular FormulaC6H14FN
Molecular Weight119.18 g/mol
Exact Mass119.11
IUPAC Name6-fluorohexan-1-amine
SMILESNCCCCCCF
InChIInChI=1S/C6H14FN/c7-5-3-1-2-4-6-8/h1-6,8H2
InChIKeyAUEOTIKUFDLLHS-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.18
LogP ≤ 51.48
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 6-fluorohexan-1-amine?
The IUPAC name of 6-fluorohexan-1-amine (CID 10025) is 6-fluorohexan-1-amine.
What is the SMILES notation for 6-fluorohexan-1-amine?
The canonical SMILES for 6-fluorohexan-1-amine is NCCCCCCF.
What is the InChIKey of 6-fluorohexan-1-amine?
The InChIKey is AUEOTIKUFDLLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN/c7-5-3-1-2-4-6-8/h1-6,8H2.
What are the key properties of 6-fluorohexan-1-amine?
6-fluorohexan-1-amine has a molecular weight of 119.18 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorohexan-1-amine is sourced from PubChem (CID 10025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).