1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine

C10H18FN — CID 166974420

IUPAC1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine
SMILESC=CCC1(C)CCCN1CCF
InChIInChI=1S/C10H18FN/c1-3-5-10(2)6-4-8-12(10)9-7-11/h3H,1,4-9H2,2H3
InChIKeyYDEFOHXEWVVYFB-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.39
Rot. Bonds4

About 1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine

1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine (PubChem CID 166974420) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine
PubChem CID166974420
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine
SMILESC=CCC1(C)CCCN1CCF
InChIInChI=1S/C10H18FN/c1-3-5-10(2)6-4-8-12(10)9-7-11/h3H,1,4-9H2,2H3
InChIKeyYDEFOHXEWVVYFB-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.39
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

Pyrrolidine, 1-(1-allylcyclohexyl)-
CID 202079
(3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine
CID 151270858
3-But-3-enyl-4-ethyl-1-(2-fluoroethyl)pyrrolidine
CID 166944926
(3R)-1-[(4S)-2-ethyl-4-methylhex-5-enyl]-3-fluoropyrrolidine
CID 167009671
1-(4-Ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine
CID 167009907
2-Ethyl-2-(1-fluoroethenyl)-1-methylpyrrolidine
CID 169130391
(4Z)-2-ethyl-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
CID 170622490
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 172287810
(2R,3S,5S)-1,5-ditert-butyl-2-ethenyl-3-(fluoromethyl)pyrrolidine
CID 173849482
(1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium
CID 175614657
(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
CID 176919337
(4Z)-4-(fluoromethylidene)-1,2,2-trimethylpyrrolidine
CID 176919452

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine?
The IUPAC name of 1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine (CID 166974420) is 1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine.
What is the SMILES notation for 1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine?
The canonical SMILES for 1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine is C=CCC1(C)CCCN1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine?
The InChIKey is YDEFOHXEWVVYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-3-5-10(2)6-4-8-12(10)9-7-11/h3H,1,4-9H2,2H3.
What are the key properties of 1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine?
1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine has a molecular weight of 171.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine is sourced from PubChem (CID 166974420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).