2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine

C11H14F7N — CID 147280269

IUPAC2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine
SMILESC=C(C)C(F)C(F)C(F)N1CCCC1(F)C(F)(F)F
InChIInChI=1S/C11H14F7N/c1-6(2)7(12)8(13)9(14)19-5-3-4-10(19,15)11(16,17)18/h7-9H,1,3-5H2,2H3
InChIKeyCSDZFKPVNHJLGL-UHFFFAOYSA-N
MW293.23 g/mol
LogP3.86
Rot. Bonds4

About 2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine

2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine (PubChem CID 147280269) has the molecular formula C11H14F7N and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine.

Molecular Properties

Compound Name2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine
PubChem CID147280269
Molecular FormulaC11H14F7N
Molecular Weight293.23 g/mol
Exact Mass293.10
IUPAC Name2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine
SMILESC=C(C)C(F)C(F)C(F)N1CCCC1(F)C(F)(F)F
InChIInChI=1S/C11H14F7N/c1-6(2)7(12)8(13)9(14)19-5-3-4-10(19,15)11(16,17)18/h7-9H,1,3-5H2,2H3
InChIKeyCSDZFKPVNHJLGL-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 53.86
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-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine
CID 124118179
1-(1,2,2-Trifluoro-3-methylbut-3-enyl)pyrrolidine
CID 124118180
1-(1,1,1,3,3-Pentafluoro-4-methylpent-4-en-2-yl)pyrrolidine
CID 124118200
4-(Difluoromethylidene)-1,2-dimethylpyrrolidine
CID 126641525
1-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)pyrrolidine
CID 134384140
1,1,1,3,3-pentafluoro-N,4-dimethyl-N-(trifluoromethyl)pent-4-en-2-amine
CID 134531068
1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine
CID 134531076
1-(2-Methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine
CID 163590861
(2R,4S)-4-fluoro-1-methyl-2-prop-1-en-2-ylpyrrolidine
CID 166928477
(4E)-2-ethyl-4-(fluoromethylidene)-1-methylpyrrolidine
CID 169130389
(4Z)-2-ethyl-4-(fluoromethylidene)-1-methylpyrrolidine
CID 172577359
(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine
CID 172577484

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine?
The IUPAC name of 2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine (CID 147280269) is 2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine.
What is the SMILES notation for 2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine?
The canonical SMILES for 2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine is C=C(C)C(F)C(F)C(F)N1CCCC1(F)C(F)(F)F.
What is the InChIKey of 2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine?
The InChIKey is CSDZFKPVNHJLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F7N/c1-6(2)7(12)8(13)9(14)19-5-3-4-10(19,15)11(16,17)18/h7-9H,1,3-5H2,2H3.
What are the key properties of 2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine?
2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine has a molecular weight of 293.23 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine is sourced from PubChem (CID 147280269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).