1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine

C8H9F6N — CID 140940164

IUPAC1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
SMILESFC(F)=C(C(F)N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H9F6N/c9-6(10)5(8(12,13)14)7(11)15-3-1-2-4-15/h7H,1-4H2
InChIKeyPCPZSCALXFMZIC-UHFFFAOYSA-N
MW233.15 g/mol
LogP3.09
Rot. Bonds2

About 1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine

1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine (PubChem CID 140940164) has the molecular formula C8H9F6N and a molecular weight of 233.15 g/mol. Its IUPAC name is 1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
PubChem CID140940164
Molecular FormulaC8H9F6N
Molecular Weight233.15 g/mol
Exact Mass233.06
IUPAC Name1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
SMILESFC(F)=C(C(F)N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H9F6N/c9-6(10)5(8(12,13)14)7(11)15-3-1-2-4-15/h7H,1-4H2
InChIKeyPCPZSCALXFMZIC-UHFFFAOYSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.09
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-Diethylaminoheptafluoroisobutylene
CID 129807003
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrrolidine
CID 13864934
1-(1,1,2-Trifluoroprop-2-enyl)pyrrolidine
CID 129207502
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129207505
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129207795
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)pyrrolidine
CID 129271429
1-(1,1,1,2,3,4,4-Heptafluorobut-3-en-2-yl)pyrrolidine
CID 129271748
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
Fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine
CID 145335478
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride
CID 159100780
1-[1,1,1,4,4,4-Hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]pyrrolidine
CID 166661052

Frequently Asked Questions

What is the IUPAC name of 1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine?
The IUPAC name of 1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine (CID 140940164) is 1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine?
The canonical SMILES for 1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine is FC(F)=C(C(F)N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine?
The InChIKey is PCPZSCALXFMZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6N/c9-6(10)5(8(12,13)14)7(11)15-3-1-2-4-15/h7H,1-4H2.
What are the key properties of 1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine?
1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine has a molecular weight of 233.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine is sourced from PubChem (CID 140940164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).