1,1-difluoro-N,N-dimethylbut-3-en-1-amine

C6H11F2N — CID 135227950

IUPAC1,1-difluoro-N,N-dimethylbut-3-en-1-amine
SMILESC=CCC(F)(F)N(C)C
InChIInChI=1S/C6H11F2N/c1-4-5-6(7,8)9(2)3/h4H,1,5H2,2-3H3
InChIKeyYSFIJYMEWYGCIE-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.72
Rot. Bonds3

About 1,1-difluoro-N,N-dimethylbut-3-en-1-amine

1,1-difluoro-N,N-dimethylbut-3-en-1-amine (PubChem CID 135227950) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 1,1-difluoro-N,N-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name1,1-difluoro-N,N-dimethylbut-3-en-1-amine
PubChem CID135227950
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1,1-difluoro-N,N-dimethylbut-3-en-1-amine
SMILESC=CCC(F)(F)N(C)C
InChIInChI=1S/C6H11F2N/c1-4-5-6(7,8)9(2)3/h4H,1,5H2,2-3H3
InChIKeyYSFIJYMEWYGCIE-UHFFFAOYSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N,N-dimethylbut-3-en-1-amine?
The IUPAC name of 1,1-difluoro-N,N-dimethylbut-3-en-1-amine (CID 135227950) is 1,1-difluoro-N,N-dimethylbut-3-en-1-amine.
What is the SMILES notation for 1,1-difluoro-N,N-dimethylbut-3-en-1-amine?
The canonical SMILES for 1,1-difluoro-N,N-dimethylbut-3-en-1-amine is C=CCC(F)(F)N(C)C.
What is the InChIKey of 1,1-difluoro-N,N-dimethylbut-3-en-1-amine?
The InChIKey is YSFIJYMEWYGCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-4-5-6(7,8)9(2)3/h4H,1,5H2,2-3H3.
What are the key properties of 1,1-difluoro-N,N-dimethylbut-3-en-1-amine?
1,1-difluoro-N,N-dimethylbut-3-en-1-amine has a molecular weight of 135.16 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,N-dimethylbut-3-en-1-amine is sourced from PubChem (CID 135227950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).