3-(2-fluoropent-4-en-2-yl)pyrrolidine

C9H16FN — CID 127016518

IUPAC3-(2-fluoropent-4-en-2-yl)pyrrolidine
SMILESC=CCC(C)(F)C1CCNC1
InChIInChI=1S/C9H16FN/c1-3-5-9(2,10)8-4-6-11-7-8/h3,8,11H,1,4-7H2,2H3
InChIKeyKFTFTKSBXVWACE-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.90
Rot. Bonds3

About 3-(2-fluoropent-4-en-2-yl)pyrrolidine

3-(2-fluoropent-4-en-2-yl)pyrrolidine (PubChem CID 127016518) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-(2-fluoropent-4-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(2-fluoropent-4-en-2-yl)pyrrolidine
PubChem CID127016518
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-(2-fluoropent-4-en-2-yl)pyrrolidine
SMILESC=CCC(C)(F)C1CCNC1
InChIInChI=1S/C9H16FN/c1-3-5-9(2,10)8-4-6-11-7-8/h3,8,11H,1,4-7H2,2H3
InChIKeyKFTFTKSBXVWACE-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.90
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

2,2-Diallylpyrrolidine
CID 573606
(3S)-3-fluoro-3-prop-2-enylpyrrolidine
CID 89317965
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
(Z)-2-buta-1,3-dien-2-yl-N-(1-fluoroethyl)-N'-(3-pyrrolidin-3-ylpropyl)but-1-ene-1,4-diamine
CID 130216591
3-(2,2-Difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine
CID 146374187
3-(6-Fluoro-6-methylcyclohexa-2,4-dien-1-yl)pyrrolidine
CID 154434228
(Z,2S,4R,5R)-7-fluoro-N,3,4,5-tetramethylhept-6-en-2-amine
CID 164044119
3-But-3-enyl-4-ethyl-1-(2-fluoroethyl)pyrrolidine
CID 166944926
2-(2-ethylbut-3-enyl)-N-(3-fluoropropyl)-N'-methylpropane-1,3-diamine
CID 166992031
(3R)-1-[(4S)-2-ethyl-4-methylhex-5-enyl]-3-fluoropyrrolidine
CID 167009671
1-(4-Ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine
CID 167009907
(3R)-3-(1-fluoropent-4-enyl)pyrrolidine
CID 170053195

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropent-4-en-2-yl)pyrrolidine?
The IUPAC name of 3-(2-fluoropent-4-en-2-yl)pyrrolidine (CID 127016518) is 3-(2-fluoropent-4-en-2-yl)pyrrolidine.
What is the SMILES notation for 3-(2-fluoropent-4-en-2-yl)pyrrolidine?
The canonical SMILES for 3-(2-fluoropent-4-en-2-yl)pyrrolidine is C=CCC(C)(F)C1CCNC1.
What is the InChIKey of 3-(2-fluoropent-4-en-2-yl)pyrrolidine?
The InChIKey is KFTFTKSBXVWACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-5-9(2,10)8-4-6-11-7-8/h3,8,11H,1,4-7H2,2H3.
What are the key properties of 3-(2-fluoropent-4-en-2-yl)pyrrolidine?
3-(2-fluoropent-4-en-2-yl)pyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropent-4-en-2-yl)pyrrolidine is sourced from PubChem (CID 127016518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).