1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine

C8H11F4N — CID 130227408

IUPAC1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine
SMILESCC(=C(F)N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-6(8(10,11)12)7(9)13-4-2-3-5-13/h2-5H2,1H3
InChIKeyJRIXLMUMKGNTQF-UHFFFAOYSA-N
MW197.17 g/mol
LogP2.85
Rot. Bonds1

About 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine

1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine (PubChem CID 130227408) has the molecular formula C8H11F4N and a molecular weight of 197.17 g/mol. Its IUPAC name is 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine
PubChem CID130227408
Molecular FormulaC8H11F4N
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Name1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine
SMILESCC(=C(F)N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-6(8(10,11)12)7(9)13-4-2-3-5-13/h2-5H2,1H3
InChIKeyJRIXLMUMKGNTQF-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrrolidine
CID 13864934
3,3,4,4-Tetrafluoro-1-(2-methylpropyl)pyrrolidine
CID 59458958
1-Butyl-2,2,3,3,4,4,5,5-octafluoro-1-methylpyrrolidin-1-ium
CID 87423736
1-[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-en-2-yl]pyrrolidine
CID 122595759
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129207505
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129207795
1-[1,1,3,3-Tetrafluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129271752
1-[1,3,3-Trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 140940164
1-Methyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-1-ium
CID 156497211
1-[1,1,1,4,4,4-Hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]pyrrolidine
CID 166661052
1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine
CID 174357858
Ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine
CID 178039048

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine?
The IUPAC name of 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine (CID 130227408) is 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine.
What is the SMILES notation for 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine?
The canonical SMILES for 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine is CC(=C(F)N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine?
The InChIKey is JRIXLMUMKGNTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N/c1-6(8(10,11)12)7(9)13-4-2-3-5-13/h2-5H2,1H3.
What are the key properties of 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine?
1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine has a molecular weight of 197.17 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)pyrrolidine is sourced from PubChem (CID 130227408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).