1-fluorohex-5-en-2-amine

C6H12FN — CID 15916373

IUPAC1-fluorohex-5-en-2-amine
SMILESC=CCCC(N)CF
InChIInChI=1S/C6H12FN/c1-2-3-4-6(8)5-7/h2,6H,1,3-5,8H2
InChIKeyZFULOAZNDHGLGZ-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.25
Rot. Bonds4

About 1-fluorohex-5-en-2-amine

1-fluorohex-5-en-2-amine (PubChem CID 15916373) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 1-fluorohex-5-en-2-amine.

Molecular Properties

Compound Name1-fluorohex-5-en-2-amine
PubChem CID15916373
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name1-fluorohex-5-en-2-amine
SMILESC=CCCC(N)CF
InChIInChI=1S/C6H12FN/c1-2-3-4-6(8)5-7/h2,6H,1,3-5,8H2
InChIKeyZFULOAZNDHGLGZ-UHFFFAOYSA-N
XLogP1.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.25
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 1-fluorohex-5-en-2-amine?
The IUPAC name of 1-fluorohex-5-en-2-amine (CID 15916373) is 1-fluorohex-5-en-2-amine.
What is the SMILES notation for 1-fluorohex-5-en-2-amine?
The canonical SMILES for 1-fluorohex-5-en-2-amine is C=CCCC(N)CF.
What is the InChIKey of 1-fluorohex-5-en-2-amine?
The InChIKey is ZFULOAZNDHGLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-2-3-4-6(8)5-7/h2,6H,1,3-5,8H2.
What are the key properties of 1-fluorohex-5-en-2-amine?
1-fluorohex-5-en-2-amine has a molecular weight of 117.17 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohex-5-en-2-amine is sourced from PubChem (CID 15916373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).