4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine

C8H10F5N — CID 170602636

IUPAC4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=CC1CN(CC(F)(F)F)CC1(F)F
InChIInChI=1S/C8H10F5N/c1-2-6-3-14(4-7(6,9)10)5-8(11,12)13/h2,6H,1,3-5H2
InChIKeyKPMPQFUAOYBZEW-UHFFFAOYSA-N
MW215.16 g/mol
LogP2.30
Rot. Bonds2

About 4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine

4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 170602636) has the molecular formula C8H10F5N and a molecular weight of 215.16 g/mol. Its IUPAC name is 4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID170602636
Molecular FormulaC8H10F5N
Molecular Weight215.16 g/mol
Exact Mass215.07
IUPAC Name4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=CC1CN(CC(F)(F)F)CC1(F)F
InChIInChI=1S/C8H10F5N/c1-2-6-3-14(4-7(6,9)10)5-8(11,12)13/h2,6H,1,3-5H2
InChIKeyKPMPQFUAOYBZEW-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 52.30
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

2,2,3,3,4,4,5,5-Octafluoro-1-(1,2,2-trifluorobut-3-enyl)pyrrolidine
CID 124111205
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine
CID 124118179
1-(1,2,2-Trifluorobut-3-enyl)pyrrolidine
CID 124118183
1-[1,2-Difluoro-2-(trifluoromethyl)but-3-enyl]pyrrolidine
CID 124118188
1-(1,1,1,3,3-Pentafluoropent-4-en-2-yl)pyrrolidine
CID 124118207
1-(1,1,2,3,3-Pentafluoropent-4-enyl)pyrrolidine
CID 134384144
(3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine
CID 144716687
1-(1,1,2,3-Tetrafluorobut-3-enyl)pyrrolidine
CID 153618283
1-(1,2,2-Trifluorobut-3-enyl)pyrrolidine;hydrofluoride
CID 157358112
(3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 165136249
3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine
CID 172628370
(3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine
CID 177368001

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 170602636) is 4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine is C=CC1CN(CC(F)(F)F)CC1(F)F.
What is the InChIKey of 4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is KPMPQFUAOYBZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5N/c1-2-6-3-14(4-7(6,9)10)5-8(11,12)13/h2,6H,1,3-5H2.
What are the key properties of 4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine?
4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 215.16 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 170602636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).