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

C8H10F5N — CID 129207505

IUPAC1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
SMILESC=C(C(F)(F)F)C(F)(F)N1CCCC1
InChIInChI=1S/C8H10F5N/c1-6(7(9,10)11)8(12,13)14-4-2-3-5-14/h1-5H2
InChIKeyGSGHTCUYLBBUDU-UHFFFAOYSA-N
MW215.16 g/mol
LogP2.79
Rot. Bonds2

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

1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine (PubChem CID 129207505) has the molecular formula C8H10F5N and a molecular weight of 215.16 g/mol. Its IUPAC name is 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
PubChem CID129207505
Molecular FormulaC8H10F5N
Molecular Weight215.16 g/mol
Exact Mass215.07
IUPAC Name1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
SMILESC=C(C(F)(F)F)C(F)(F)N1CCCC1
InChIInChI=1S/C8H10F5N/c1-6(7(9,10)11)8(12,13)14-4-2-3-5-14/h1-5H2
InChIKeyGSGHTCUYLBBUDU-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
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

1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)pyrrolidine
CID 129207494
1-(1,1,2-Trifluoroprop-2-enyl)pyrrolidine
CID 129207502
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129207795
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)pyrrolidine
CID 129271429
1-[1,1,3,3-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-(1,1,2,2,3-Pentafluorobut-3-enyl)pyrrolidine
CID 153618295
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride
CID 159100780
1-[(Z)-3-fluoro-2-methylprop-2-enyl]pyrrolidine
CID 172279007
3,3-Difluoro-1-(2-methylidenebutyl)pyrrolidine
CID 130634874

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine?
The IUPAC name of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine (CID 129207505) is 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine?
The canonical SMILES for 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine is C=C(C(F)(F)F)C(F)(F)N1CCCC1.
What is the InChIKey of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine?
The InChIKey is GSGHTCUYLBBUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5N/c1-6(7(9,10)11)8(12,13)14-4-2-3-5-14/h1-5H2.
What are the key properties of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine?
1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine has a molecular weight of 215.16 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine is sourced from PubChem (CID 129207505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).