3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine

C11H20FN — CID 123887053

IUPAC3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine
SMILESCC=C(C)C1CN(C(C)C)CC1F
InChIInChI=1S/C11H20FN/c1-5-9(4)10-6-13(8(2)3)7-11(10)12/h5,8,10-11H,6-7H2,1-4H3
InChIKeyAASRNLHPBHOVKQ-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.63
Rot. Bonds2

About 3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine

3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine (PubChem CID 123887053) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine
PubChem CID123887053
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine
SMILESCC=C(C)C1CN(C(C)C)CC1F
InChIInChI=1S/C11H20FN/c1-5-9(4)10-6-13(8(2)3)7-11(10)12/h5,8,10-11H,6-7H2,1-4H3
InChIKeyAASRNLHPBHOVKQ-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.63
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

(2R)-1-[(1E,3S)-3,6-dimethylhepta-1,5-dienyl]-4,4-difluoro-2-methylpyrrolidine
CID 164672084
1-(2,5-Difluorocyclohex-2-en-1-yl)-3-methylpyrrolidine
CID 69626988
3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine
CID 71132743
1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890
1-butyl-2-[(1Z,4E,6E)-4-ethenyl-6-(2-fluoropropan-2-yl)-3-methylideneocta-1,4,6-trienyl]-3-methylpyrrolidine
CID 137399870
(2R)-1-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-2-(trifluoromethyl)pyrrolidine
CID 138526940
1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine
CID 142953906
3-[(3Z,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-methylpyrrolidine
CID 144301362
(2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine
CID 144607829
2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine
CID 146476928
(2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine
CID 146476929
1-(2-Fluoro-2-methylbutyl)-3-prop-1-en-2-ylpyrrolidine
CID 154974300

Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine (CID 123887053) is 3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine is CC=C(C)C1CN(C(C)C)CC1F.
What is the InChIKey of 3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine?
The InChIKey is AASRNLHPBHOVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-5-9(4)10-6-13(8(2)3)7-11(10)12/h5,8,10-11H,6-7H2,1-4H3.
What are the key properties of 3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine?
3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine has a molecular weight of 185.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 123887053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).