3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine

C9H15F2N — CID 142596240

IUPAC3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine
SMILESC=CC(C)(C)N1CCC(F)(F)C1
InChIInChI=1S/C9H15F2N/c1-4-8(2,3)12-6-5-9(10,11)7-12/h4H,1,5-7H2,2-3H3
InChIKeyTVDGWQTXSYQJJF-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.29
Rot. Bonds2

About 3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine

3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine (PubChem CID 142596240) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine
PubChem CID142596240
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine
SMILESC=CC(C)(C)N1CCC(F)(F)C1
InChIInChI=1S/C9H15F2N/c1-4-8(2,3)12-6-5-9(10,11)7-12/h4H,1,5-7H2,2-3H3
InChIKeyTVDGWQTXSYQJJF-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-(1,2,2-Trifluorobut-3-enyl)pyrrolidine
CID 124118183
1-[1,2-Difluoro-2-(trifluoromethyl)but-3-enyl]pyrrolidine
CID 124118188
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)pyrrolidine
CID 129207494
1-(1,2-Difluoro-2-methylbut-3-enyl)pyrrolidine
CID 134531037
1-(2,3-Difluorobut-3-en-2-yl)pyrrolidine
CID 140936885
1-(4,4-Difluorohexa-1,5-dien-3-yl)pyrrolidine
CID 155372748
1-(1,2,2-Trifluorobut-3-enyl)pyrrolidine;hydrofluoride
CID 157358112
1-[2-Fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine
CID 163550256
1-(2,3-Difluoropent-1-en-3-yl)pyrrolidine
CID 163757966
(3R)-1-[(2S)-but-3-en-2-yl]-3-fluoropyrrolidine
CID 166079538
1-But-3-en-2-yl-2-fluoropyrrolidine
CID 167204155
1-Tert-butyl-3-(difluoromethylidene)pyrrolidine
CID 176805116

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine (CID 142596240) is 3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine is C=CC(C)(C)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine?
The InChIKey is TVDGWQTXSYQJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-4-8(2,3)12-6-5-9(10,11)7-12/h4H,1,5-7H2,2-3H3.
What are the key properties of 3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine?
3,3-difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 2.29, 2 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-methylbut-3-en-2-yl)pyrrolidine is sourced from PubChem (CID 142596240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).