2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine

C10H13F6N — CID 121451030

IUPAC2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine
SMILESFC(F)(F)C(=CCCC1CCCN1)C(F)(F)F
InChIInChI=1S/C10H13F6N/c11-9(12,13)8(10(14,15)16)5-1-3-7-4-2-6-17-7/h5,7,17H,1-4,6H2
InChIKeyMDCYJYOWJKSJID-UHFFFAOYSA-N
MW261.21 g/mol
LogP3.57
Rot. Bonds3

About 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine

2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine (PubChem CID 121451030) has the molecular formula C10H13F6N and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine.

Molecular Properties

Compound Name2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine
PubChem CID121451030
Molecular FormulaC10H13F6N
Molecular Weight261.21 g/mol
Exact Mass261.10
IUPAC Name2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine
SMILESFC(F)(F)C(=CCCC1CCCN1)C(F)(F)F
InChIInChI=1S/C10H13F6N/c11-9(12,13)8(10(14,15)16)5-1-3-7-4-2-6-17-7/h5,7,17H,1-4,6H2
InChIKeyMDCYJYOWJKSJID-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 53.57
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-(Trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 118008135
2-Methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine
CID 121450917
N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine
CID 121451127
(2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine
CID 129150659
2-Fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine
CID 138494351
(2R,4S)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]-4-fluoropyrrolidine
CID 138701557
(2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine
CID 141306201
(2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine
CID 145012025
2-[(2Z,4E)-4-(1,1-difluoroethyl)hepta-2,4-dienyl]pyrrolidine
CID 145012113
2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine
CID 145110985
(1S,4R)-2-(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride
CID 153386496
(1S,4R)-2-(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene
CID 153386497

Frequently Asked Questions

What is the IUPAC name of 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine?
The IUPAC name of 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine (CID 121451030) is 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine.
What is the SMILES notation for 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine?
The canonical SMILES for 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine is FC(F)(F)C(=CCCC1CCCN1)C(F)(F)F.
What is the InChIKey of 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine?
The InChIKey is MDCYJYOWJKSJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N/c11-9(12,13)8(10(14,15)16)5-1-3-7-4-2-6-17-7/h5,7,17H,1-4,6H2.
What are the key properties of 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine?
2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine has a molecular weight of 261.21 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine is sourced from PubChem (CID 121451030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).