1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine

C8H11F4N — CID 129207795

IUPAC1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
SMILESC=C(C(F)N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-6(8(10,11)12)7(9)13-4-2-3-5-13/h7H,1-5H2
InChIKeyDREYCDQVAIVCLG-UHFFFAOYSA-N
MW197.17 g/mol
LogP2.50
Rot. Bonds2

About 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine

1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine (PubChem CID 129207795) has the molecular formula C8H11F4N and a molecular weight of 197.17 g/mol. Its IUPAC name is 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
PubChem CID129207795
Molecular FormulaC8H11F4N
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Name1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
SMILESC=C(C(F)N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-6(8(10,11)12)7(9)13-4-2-3-5-13/h7H,1-5H2
InChIKeyDREYCDQVAIVCLG-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4-Tetrafluoro-1-prop-2-enylpyrrolidine
CID 58361966
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-(1,1,2-Trifluoroprop-2-enyl)pyrrolidine
CID 129207502
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129207505
1-(1,2-Difluoroprop-2-enyl)pyrrolidine
CID 129207790
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)pyrrolidine
CID 129271429
1-[1,1,3,3-Tetrafluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129271752
1-(1,3,3,3-Tetrafluoro-2-methylprop-1-enyl)pyrrolidine
CID 130227408
1-[1,3,3-Trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 140940164
Fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine
CID 145335478
1-(1,1,2,3-Tetrafluorobut-3-enyl)pyrrolidine
CID 153618283

Frequently Asked Questions

What is the IUPAC name of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine?
The IUPAC name of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine (CID 129207795) is 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine?
The canonical SMILES for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine is C=C(C(F)N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine?
The InChIKey is DREYCDQVAIVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N/c1-6(8(10,11)12)7(9)13-4-2-3-5-13/h7H,1-5H2.
What are the key properties of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine?
1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine has a molecular weight of 197.17 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine is sourced from PubChem (CID 129207795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).