3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine

C12H20FN — CID 130986236

IUPAC3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine
SMILESCC(F)(C1=CCCCC1)C1CCNC1
InChIInChI=1S/C12H20FN/c1-12(13,11-7-8-14-9-11)10-5-3-2-4-6-10/h5,11,14H,2-4,6-9H2,1H3
InChIKeyAPEQUQLALBBGDI-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.82
Rot. Bonds2

About 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine

3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine (PubChem CID 130986236) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine.

Molecular Properties

Compound Name3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine
PubChem CID130986236
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine
SMILESCC(F)(C1=CCCCC1)C1CCNC1
InChIInChI=1S/C12H20FN/c1-12(13,11-7-8-14-9-11)10-5-3-2-4-6-10/h5,11,14H,2-4,6-9H2,1H3
InChIKeyAPEQUQLALBBGDI-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.82
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

N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
4-(4-Fluorocyclohexen-1-yl)piperidine
CID 89168221
7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine
CID 91313559
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
2-(4-Fluoro-3-methylcyclohex-3-en-1-yl)-3-(3-propan-2-yl-4-propylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 123157584
2-(4-Fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3-(3-propan-2-yl-4-propylcyclohexen-1-yl)pyrrolidine
CID 123169673
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine?
The IUPAC name of 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine (CID 130986236) is 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine.
What is the SMILES notation for 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine?
The canonical SMILES for 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine is CC(F)(C1=CCCCC1)C1CCNC1.
What is the InChIKey of 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine?
The InChIKey is APEQUQLALBBGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-12(13,11-7-8-14-9-11)10-5-3-2-4-6-10/h5,11,14H,2-4,6-9H2,1H3.
What are the key properties of 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine?
3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine has a molecular weight of 197.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine is sourced from PubChem (CID 130986236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).