2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine

C8H12F3N — CID 130564824

IUPAC2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
SMILESC=C(C(F)(F)F)C1(C)CCCN1
InChIInChI=1S/C8H12F3N/c1-6(8(9,10)11)7(2)4-3-5-12-7/h12H,1,3-5H2,2H3
InChIKeyPGIYEMHSYRYOLT-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.25
Rot. Bonds1

About 2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine

2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine (PubChem CID 130564824) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
PubChem CID130564824
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
SMILESC=C(C(F)(F)F)C1(C)CCCN1
InChIInChI=1S/C8H12F3N/c1-6(8(9,10)11)7(2)4-3-5-12-7/h12H,1,3-5H2,2H3
InChIKeyPGIYEMHSYRYOLT-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.25
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

(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 162414798
3-Methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine
CID 68813031
4-(Difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine
CID 126653747
7,7-Difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene
CID 146640283
7,7-Difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 146640284
3,3-Difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine
CID 147394218
(4Z)-2-ethyl-4-(fluoromethylidene)-2-methylpyrrolidine
CID 169184022
(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine
CID 172288850
(4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine
CID 176954846
(2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine
CID 177213219
2-Ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
CID 130564825
2-[2-Fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine
CID 130787792

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine?
The IUPAC name of 2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine (CID 130564824) is 2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine.
What is the SMILES notation for 2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine?
The canonical SMILES for 2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine is C=C(C(F)(F)F)C1(C)CCCN1.
What is the InChIKey of 2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine?
The InChIKey is PGIYEMHSYRYOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-6(8(9,10)11)7(2)4-3-5-12-7/h12H,1,3-5H2,2H3.
What are the key properties of 2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine?
2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine has a molecular weight of 179.18 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 130564824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).