2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine

C10H13F6N — CID 121450917

IUPAC2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine
SMILESCC1NCCC1CC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6N/c1-6-7(4-5-17-6)2-3-8(9(11,12)13)10(14,15)16/h3,6-7,17H,2,4-5H2,1H3
InChIKeyKBLITXPCZWDLHN-UHFFFAOYSA-N
MW261.21 g/mol
LogP3.43
Rot. Bonds2

About 2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine

2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine (PubChem CID 121450917) has the molecular formula C10H13F6N and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine
PubChem CID121450917
Molecular FormulaC10H13F6N
Molecular Weight261.21 g/mol
Exact Mass261.10
IUPAC Name2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine
SMILESCC1NCCC1CC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6N/c1-6-7(4-5-17-6)2-3-8(9(11,12)13)10(14,15)16/h3,6-7,17H,2,4-5H2,1H3
InChIKeyKBLITXPCZWDLHN-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 53.43
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

2-[5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine
CID 121451030
2-Methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]azetidine
CID 121451036
N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine
CID 121451127
2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine
CID 145110985
(3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine
CID 146510045
2-[2-Fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine
CID 130787792
2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine
CID 131420449
3-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine
CID 133620058
2-[4-(2,2-Difluorocyclopropyl)but-2-en-2-yl]pyrrolidine
CID 164649177
3-[4-(2,2-Difluorocyclopropyl)but-2-en-2-yl]pyrrolidine
CID 164649178
2-[1-(2,2-Difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine
CID 164649192
3-[1-(2,2-Difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine
CID 164649193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine?
The IUPAC name of 2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine (CID 121450917) is 2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine.
What is the SMILES notation for 2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine?
The canonical SMILES for 2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine is CC1NCCC1CC=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine?
The InChIKey is KBLITXPCZWDLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N/c1-6-7(4-5-17-6)2-3-8(9(11,12)13)10(14,15)16/h3,6-7,17H,2,4-5H2,1H3.
What are the key properties of 2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine?
2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine has a molecular weight of 261.21 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine is sourced from PubChem (CID 121450917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).