4-fluoro-4,5-dimethylhex-5-en-1-amine

C8H16FN — CID 126983508

IUPAC4-fluoro-4,5-dimethylhex-5-en-1-amine
SMILESC=C(C)C(C)(F)CCCN
InChIInChI=1S/C8H16FN/c1-7(2)8(3,9)5-4-6-10/h1,4-6,10H2,2-3H3
InChIKeyBWKAYLYMJNATRQ-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.03
Rot. Bonds4

About 4-fluoro-4,5-dimethylhex-5-en-1-amine

4-fluoro-4,5-dimethylhex-5-en-1-amine (PubChem CID 126983508) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 4-fluoro-4,5-dimethylhex-5-en-1-amine.

Molecular Properties

Compound Name4-fluoro-4,5-dimethylhex-5-en-1-amine
PubChem CID126983508
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name4-fluoro-4,5-dimethylhex-5-en-1-amine
SMILESC=C(C)C(C)(F)CCCN
InChIInChI=1S/C8H16FN/c1-7(2)8(3,9)5-4-6-10/h1,4-6,10H2,2-3H3
InChIKeyBWKAYLYMJNATRQ-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.03
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 4-fluoro-4,5-dimethylhex-5-en-1-amine?
The IUPAC name of 4-fluoro-4,5-dimethylhex-5-en-1-amine (CID 126983508) is 4-fluoro-4,5-dimethylhex-5-en-1-amine.
What is the SMILES notation for 4-fluoro-4,5-dimethylhex-5-en-1-amine?
The canonical SMILES for 4-fluoro-4,5-dimethylhex-5-en-1-amine is C=C(C)C(C)(F)CCCN.
What is the InChIKey of 4-fluoro-4,5-dimethylhex-5-en-1-amine?
The InChIKey is BWKAYLYMJNATRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2)8(3,9)5-4-6-10/h1,4-6,10H2,2-3H3.
What are the key properties of 4-fluoro-4,5-dimethylhex-5-en-1-amine?
4-fluoro-4,5-dimethylhex-5-en-1-amine has a molecular weight of 145.22 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4,5-dimethylhex-5-en-1-amine is sourced from PubChem (CID 126983508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).