3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine

C10H17F2N — CID 130736665

IUPAC3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine
SMILESCC(C)=CCN1CCC(C(F)F)C1
InChIInChI=1S/C10H17F2N/c1-8(2)3-5-13-6-4-9(7-13)10(11)12/h3,9-10H,4-7H2,1-2H3
InChIKeyFXFAHJNSYRQQFD-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.54
Rot. Bonds3

About 3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine

3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine (PubChem CID 130736665) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine
PubChem CID130736665
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine
SMILESCC(C)=CCN1CCC(C(F)F)C1
InChIInChI=1S/C10H17F2N/c1-8(2)3-5-13-6-4-9(7-13)10(11)12/h3,9-10H,4-7H2,1-2H3
InChIKeyFXFAHJNSYRQQFD-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-N-(3,3,3-trifluoropropyl)but-2-en-1-amine
CID 144221055
3-Methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydropyrrole
CID 155775201
3-Fluoro-3-methyl-1-(2-methylprop-2-enyl)pyrrolidine
CID 130618302
3-(Difluoromethyl)-1-prop-2-enylpyrrolidine
CID 131036211
3-Fluoro-3-methyl-1-(3-methylbut-2-enyl)pyrrolidine
CID 131042091
1-Prop-2-enyl-3-(trifluoromethyl)pyrrolidine
CID 131065008
3,3-Difluoro-1-(5-methylhexa-2,3-dienyl)pyrrolidine
CID 162554644
1-(3-Methylbut-2-enyl)pyrrolidine
CID 15921204
1-[(E)-but-2-enyl]-3-methylpyrrolidine
CID 23396927
1-But-2-enyl-3-methylpyrrolidine
CID 74047449
1-(2-Methylbut-2-enyl)pyrrolidine
CID 123892739
3-methyl-1-[(E)-2-methylbut-2-enyl]pyrrolidine
CID 138487186

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine?
The IUPAC name of 3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine (CID 130736665) is 3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine.
What is the SMILES notation for 3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine?
The canonical SMILES for 3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine is CC(C)=CCN1CCC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine?
The InChIKey is FXFAHJNSYRQQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-8(2)3-5-13-6-4-9(7-13)10(11)12/h3,9-10H,4-7H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine?
3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine has a molecular weight of 189.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine is sourced from PubChem (CID 130736665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).