3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine

C8H12F3N — CID 162553149

IUPAC3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine
SMILESC=CCC1(F)CN(C)CC1(F)F
InChIInChI=1S/C8H12F3N/c1-3-4-7(9)5-12(2)6-8(7,10)11/h3H,1,4-6H2,2H3
InChIKeyDYZNVSXXLRIBGP-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.85
Rot. Bonds2

About 3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine

3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine (PubChem CID 162553149) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine
PubChem CID162553149
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine
SMILESC=CCC1(F)CN(C)CC1(F)F
InChIInChI=1S/C8H12F3N/c1-3-4-7(9)5-12(2)6-8(7,10)11/h3H,1,4-6H2,2H3
InChIKeyDYZNVSXXLRIBGP-UHFFFAOYSA-N
XLogP1.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)pyrrolidine
CID 134384140
N,3-dimethyl-N-(3,3,3-trifluoropropyl)hex-5-en-1-amine
CID 144403393
(3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine
CID 151270858
(3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 165136249
1-(2-Fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine
CID 166974420
(3R)-1-[(4S)-2-ethyl-4-methylhex-5-enyl]-3-fluoropyrrolidine
CID 167009671
1-(4-Ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine
CID 167009907
1-Ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine
CID 170382534
4-Ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 170602636
3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine
CID 172628370
3-But-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 177031959
3-Prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 177038908

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine?
The IUPAC name of 3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine (CID 162553149) is 3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine.
What is the SMILES notation for 3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine?
The canonical SMILES for 3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine is C=CCC1(F)CN(C)CC1(F)F.
What is the InChIKey of 3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine?
The InChIKey is DYZNVSXXLRIBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-3-4-7(9)5-12(2)6-8(7,10)11/h3H,1,4-6H2,2H3.
What are the key properties of 3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine?
3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine has a molecular weight of 179.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-1-methyl-4-prop-2-enylpyrrolidine is sourced from PubChem (CID 162553149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).