2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride

C8H17ClFN — CID 122239914

IUPAC2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride
SMILESCNCC(F)CC=C(C)C.Cl
InChIInChI=1S/C8H16FN.ClH/c1-7(2)4-5-8(9)6-10-3;/h4,8,10H,5-6H2,1-3H3;1H
InChIKeyUPYFUOBYSFRRIH-UHFFFAOYSA-N
MW181.68 g/mol
LogP2.32
Rot. Bonds4

About 2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride

2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride (PubChem CID 122239914) has the molecular formula C8H17ClFN and a molecular weight of 181.68 g/mol. Its IUPAC name is 2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride
PubChem CID122239914
Molecular FormulaC8H17ClFN
Molecular Weight181.68 g/mol
Exact Mass181.10
IUPAC Name2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride
SMILESCNCC(F)CC=C(C)C.Cl
InChIInChI=1S/C8H16FN.ClH/c1-7(2)4-5-8(9)6-10-3;/h4,8,10H,5-6H2,1-3H3;1H
InChIKeyUPYFUOBYSFRRIH-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.68
LogP ≤ 52.32
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 2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride?
The IUPAC name of 2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride (CID 122239914) is 2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride.
What is the SMILES notation for 2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride?
The canonical SMILES for 2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride is CNCC(F)CC=C(C)C.Cl.
What is the InChIKey of 2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride?
The InChIKey is UPYFUOBYSFRRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN.ClH/c1-7(2)4-5-8(9)6-10-3;/h4,8,10H,5-6H2,1-3H3;1H.
What are the key properties of 2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride?
2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride has a molecular weight of 181.68 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride is sourced from PubChem (CID 122239914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).