3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine

C9H15F2N — CID 130634874

IUPAC3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine
SMILESC=C(CC)CN1CCC(F)(F)C1
InChIInChI=1S/C9H15F2N/c1-3-8(2)6-12-5-4-9(10,11)7-12/h2-7H2,1H3
InChIKeyRDDXLWDECIFHRJ-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.29
Rot. Bonds3

About 3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine

3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine (PubChem CID 130634874) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine
PubChem CID130634874
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine
SMILESC=C(CC)CN1CCC(F)(F)C1
InChIInChI=1S/C9H15F2N/c1-3-8(2)6-12-5-4-9(10,11)7-12/h2-7H2,1H3
InChIKeyRDDXLWDECIFHRJ-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.29
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

1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine
CID 124118179
1-(1,2,2-Trifluoro-3-methylbut-3-enyl)pyrrolidine
CID 124118180
1-(1,1,1,3,3-Pentafluoro-4-methylpent-4-en-2-yl)pyrrolidine
CID 124118200
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129207505
1-(1,1,1,3-Tetrafluorobut-3-en-2-yl)pyrrolidine
CID 129207766
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129207795
1-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)pyrrolidine
CID 134384140
1-(1,2-Difluoro-2,3-dimethylbut-3-enyl)pyrrolidine
CID 134531049
3-Propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 138507099
1-(2,3-Difluorobut-3-en-2-yl)pyrrolidine
CID 140936885
3,3-Difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine
CID 142596240
1-(1,1,2,3-Tetrafluorobut-3-enyl)pyrrolidine
CID 153618283

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine (CID 130634874) is 3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine is C=C(CC)CN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine?
The InChIKey is RDDXLWDECIFHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-3-8(2)6-12-5-4-9(10,11)7-12/h2-7H2,1H3.
What are the key properties of 3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine?
3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methylidenebutyl)pyrrolidine is sourced from PubChem (CID 130634874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).