1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine

C14H22FNO — CID 143167676

IUPAC1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine
SMILESCC1=C(OCCN2CCCC2)C=CC(F)CC1
InChIInChI=1S/C14H22FNO/c1-12-4-5-13(15)6-7-14(12)17-11-10-16-8-2-3-9-16/h6-7,13H,2-5,8-11H2,1H3
InChIKeyJLTHQSFQPPWGOM-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.06
Rot. Bonds4

About 1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine

1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine (PubChem CID 143167676) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine
PubChem CID143167676
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine
SMILESCC1=C(OCCN2CCCC2)C=CC(F)CC1
InChIInChI=1S/C14H22FNO/c1-12-4-5-13(15)6-7-14(12)17-11-10-16-8-2-3-9-16/h6-7,13H,2-5,8-11H2,1H3
InChIKeyJLTHQSFQPPWGOM-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine
CID 142995078
N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine
CID 143263466
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)pyrrolidine
CID 17915424
(3S)-3-(6-ethylcyclohexa-1,5-dien-1-yl)oxy-1-methylpyrrolidine
CID 129059964
CID 141842631
CID 141842631
N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
CID 142097266
1-[2-(4-Methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine
CID 142818528
Ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine
CID 143167675
ethane;1-[2-[(3Z,6E,8E)-8-ethenyl-6-[(Z,1E)-1-ethylidenepent-2-enyl]-7-methyl-5-methylideneundeca-1,3,6,8,10-pentaen-2-yl]oxyethyl]pyrrolidine
CID 143378619
1-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]pyrrolidine
CID 144107504
Ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine
CID 144722673
1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]pyrrolidine
CID 164737021

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine?
The IUPAC name of 1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine (CID 143167676) is 1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine?
The canonical SMILES for 1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine is CC1=C(OCCN2CCCC2)C=CC(F)CC1.
What is the InChIKey of 1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine?
The InChIKey is JLTHQSFQPPWGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-12-4-5-13(15)6-7-14(12)17-11-10-16-8-2-3-9-16/h6-7,13H,2-5,8-11H2,1H3.
What are the key properties of 1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine?
1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine has a molecular weight of 239.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine is sourced from PubChem (CID 143167676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).