2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine

C9H13F4N — CID 130787792

IUPAC2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine
SMILESC=C(C(F)(F)F)C(C)(F)C1CCCN1
InChIInChI=1S/C9H13F4N/c1-6(9(11,12)13)8(2,10)7-4-3-5-14-7/h7,14H,1,3-5H2,2H3
InChIKeyHTOHRFPIXHDDMQ-UHFFFAOYSA-N
MW211.20 g/mol
LogP2.59
Rot. Bonds2

About 2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine

2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine (PubChem CID 130787792) has the molecular formula C9H13F4N and a molecular weight of 211.20 g/mol. Its IUPAC name is 2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine
PubChem CID130787792
Molecular FormulaC9H13F4N
Molecular Weight211.20 g/mol
Exact Mass211.10
IUPAC Name2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine
SMILESC=C(C(F)(F)F)C(C)(F)C1CCCN1
InChIInChI=1S/C9H13F4N/c1-6(9(11,12)13)8(2,10)7-4-3-5-14-7/h7,14H,1,3-5H2,2H3
InChIKeyHTOHRFPIXHDDMQ-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine
CID 68813031
2-Methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine
CID 121450917
2-[5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine
CID 121451030
4-(Difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine
CID 126653747
3,3-Difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine
CID 147394218
4-(Difluoromethylidene)-2-(2,2-dimethylpropyl)pyrrolidine
CID 174214129
(2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine
CID 177213219
1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine
CID 103312115
1,1,1-trifluoro-6-methyl-N-propyl-2-(trifluoromethyl)hept-6-en-3-amine
CID 103312293
N-ethyl-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hept-6-en-3-amine
CID 103312294
2-(1-Fluoro-2-methylprop-2-enyl)pyrrolidine
CID 106640527
N-ethyl-1,1,1-trifluoro-5-methylidene-2-(trifluoromethyl)heptan-3-amine
CID 113801479

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine?
The IUPAC name of 2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine (CID 130787792) is 2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine.
What is the SMILES notation for 2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine?
The canonical SMILES for 2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine is C=C(C(F)(F)F)C(C)(F)C1CCCN1.
What is the InChIKey of 2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine?
The InChIKey is HTOHRFPIXHDDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N/c1-6(9(11,12)13)8(2,10)7-4-3-5-14-7/h7,14H,1,3-5H2,2H3.
What are the key properties of 2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine?
2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine has a molecular weight of 211.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine is sourced from PubChem (CID 130787792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).