2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine

C8H14FN — CID 129044069

IUPAC2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine
SMILESC=CC(F)(C=C)CN(C)C
InChIInChI=1S/C8H14FN/c1-5-8(9,6-2)7-10(3)4/h5-6H,1-2,7H2,3-4H3
InChIKeyUGBLYGTVRNOFBQ-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.63
Rot. Bonds4

About 2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine

2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine (PubChem CID 129044069) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine
PubChem CID129044069
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine
SMILESC=CC(F)(C=C)CN(C)C
InChIInChI=1S/C8H14FN/c1-5-8(9,6-2)7-10(3)4/h5-6H,1-2,7H2,3-4H3
InChIKeyUGBLYGTVRNOFBQ-UHFFFAOYSA-N
XLogP1.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
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-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine?
The IUPAC name of 2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine (CID 129044069) is 2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine.
What is the SMILES notation for 2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine?
The canonical SMILES for 2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine is C=CC(F)(C=C)CN(C)C.
What is the InChIKey of 2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine?
The InChIKey is UGBLYGTVRNOFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-5-8(9,6-2)7-10(3)4/h5-6H,1-2,7H2,3-4H3.
What are the key properties of 2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine?
2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine has a molecular weight of 143.20 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine is sourced from PubChem (CID 129044069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).