6-fluoro-4-methylhexa-1,5-dien-3-amine

C7H12FN — CID 91533249

IUPAC6-fluoro-4-methylhexa-1,5-dien-3-amine
SMILESC=CC(N)C(C)C=CF
InChIInChI=1S/C7H12FN/c1-3-7(9)6(2)4-5-8/h3-7H,1,9H2,2H3
InChIKeyZZMRPOKDHPTEDA-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.62
Rot. Bonds3

About 6-fluoro-4-methylhexa-1,5-dien-3-amine

6-fluoro-4-methylhexa-1,5-dien-3-amine (PubChem CID 91533249) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 6-fluoro-4-methylhexa-1,5-dien-3-amine.

Molecular Properties

Compound Name6-fluoro-4-methylhexa-1,5-dien-3-amine
PubChem CID91533249
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name6-fluoro-4-methylhexa-1,5-dien-3-amine
SMILESC=CC(N)C(C)C=CF
InChIInChI=1S/C7H12FN/c1-3-7(9)6(2)4-5-8/h3-7H,1,9H2,2H3
InChIKeyZZMRPOKDHPTEDA-UHFFFAOYSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.62
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 6-fluoro-4-methylhexa-1,5-dien-3-amine?
The IUPAC name of 6-fluoro-4-methylhexa-1,5-dien-3-amine (CID 91533249) is 6-fluoro-4-methylhexa-1,5-dien-3-amine.
What is the SMILES notation for 6-fluoro-4-methylhexa-1,5-dien-3-amine?
The canonical SMILES for 6-fluoro-4-methylhexa-1,5-dien-3-amine is C=CC(N)C(C)C=CF.
What is the InChIKey of 6-fluoro-4-methylhexa-1,5-dien-3-amine?
The InChIKey is ZZMRPOKDHPTEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-7(9)6(2)4-5-8/h3-7H,1,9H2,2H3.
What are the key properties of 6-fluoro-4-methylhexa-1,5-dien-3-amine?
6-fluoro-4-methylhexa-1,5-dien-3-amine has a molecular weight of 129.18 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methylhexa-1,5-dien-3-amine is sourced from PubChem (CID 91533249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).