3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine

C8H12F3N — CID 172628370

IUPAC3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/C1(F)CN(C)CC1(F)F
InChIInChI=1S/C8H12F3N/c1-3-4-7(9)5-12(2)6-8(7,10)11/h3-4H,5-6H2,1-2H3/b4-3+
InChIKeyUNOKVEGRTSLTCL-ONEGZZNKSA-N
MW179.19 g/mol
LogP1.85
Rot. Bonds1

About 3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine

3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine (PubChem CID 172628370) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine
PubChem CID172628370
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/C1(F)CN(C)CC1(F)F
InChIInChI=1S/C8H12F3N/c1-3-4-7(9)5-12(2)6-8(7,10)11/h3-4H,5-6H2,1-2H3/b4-3+
InChIKeyUNOKVEGRTSLTCL-ONEGZZNKSA-N
XLogP1.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
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

3-Fluoro-1-hex-3-enyl-4-methylpyrrolidine
CID 123611111
1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]pyrrolidine
CID 134384150
3,3-Difluoro-1-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pyrrolidine
CID 139317773
1,2-Difluorocyclohexa-1,3-diene;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 145229121
3,3-difluoro-1,4-dimethyl-4-[(E)-prop-1-enyl]pyrrolidine
CID 156078113
(3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 165136249
3,3,4,4-tetrafluoro-1-[(E)-5-methyl-4-methylidenehex-2-enyl]pyrrolidine
CID 166698514
4-Ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 170602636
1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine
CID 177031720
3,3,4-Trifluoro-1-methyl-4-prop-2-enylpyrrolidine
CID 162553149
1-(Cyclohexa-2,4-dien-1-ylmethyl)-3,3,4,4-tetrafluoropyrrolidine
CID 162558950
3-Ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 162620548

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine?
The IUPAC name of 3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine (CID 172628370) is 3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine.
What is the SMILES notation for 3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine?
The canonical SMILES for 3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine is C/C=C/C1(F)CN(C)CC1(F)F.
What is the InChIKey of 3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine?
The InChIKey is UNOKVEGRTSLTCL-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H12F3N/c1-3-4-7(9)5-12(2)6-8(7,10)11/h3-4H,5-6H2,1-2H3/b4-3+.
What are the key properties of 3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine?
3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine has a molecular weight of 179.19 g/mol, XLogP of 1.85, 1 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-[(E)-prop-1-enyl]pyrrolidine is sourced from PubChem (CID 172628370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).