1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene

C11H22FN — CID 177054127

IUPAC1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene
SMILESC=CC(C)CF.CC1CCN(C)C1
InChIInChI=1S/C6H13N.C5H9F/c1-6-3-4-7(2)5-6;1-3-5(2)4-6/h6H,3-5H2,1-2H3;3,5H,1,4H2,2H3
InChIKeyYGZHJYYGRBINDF-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.74
Rot. Bonds2

About 1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene

1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene (PubChem CID 177054127) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene.

Molecular Properties

Compound Name1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene
PubChem CID177054127
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene
SMILESC=CC(C)CF.CC1CCN(C)C1
InChIInChI=1S/C6H13N.C5H9F/c1-6-3-4-7(2)5-6;1-3-5(2)4-6/h6H,3-5H2,1-2H3;3,5H,1,4H2,2H3
InChIKeyYGZHJYYGRBINDF-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.74
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 1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene?
The IUPAC name of 1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene (CID 177054127) is 1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene.
What is the SMILES notation for 1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene?
The canonical SMILES for 1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene is C=CC(C)CF.CC1CCN(C)C1.
What is the InChIKey of 1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene?
The InChIKey is YGZHJYYGRBINDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H9F/c1-6-3-4-7(2)5-6;1-3-5(2)4-6/h6H,3-5H2,1-2H3;3,5H,1,4H2,2H3.
What are the key properties of 1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene?
1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene has a molecular weight of 187.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene is sourced from PubChem (CID 177054127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).