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

C16H28FNO — CID 143167675

IUPACethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine
SMILESCC.CC1=C(OCCN2CCCC2)C=CC(F)CC1
InChIInChI=1S/C14H22FNO.C2H6/c1-12-4-5-13(15)6-7-14(12)17-11-10-16-8-2-3-9-16;1-2/h6-7,13H,2-5,8-11H2,1H3;1-2H3
InChIKeyJGAVZYUXXPAGLY-UHFFFAOYSA-N
MW269.40 g/mol
LogP4.09
Rot. Bonds4

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

ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine (PubChem CID 143167675) has the molecular formula C16H28FNO and a molecular weight of 269.40 g/mol. Its IUPAC name is ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine.

Molecular Properties

Compound Nameethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine
PubChem CID143167675
Molecular FormulaC16H28FNO
Molecular Weight269.40 g/mol
Exact Mass269.22
IUPAC Nameethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine
SMILESCC.CC1=C(OCCN2CCCC2)C=CC(F)CC1
InChIInChI=1S/C14H22FNO.C2H6/c1-12-4-5-13(15)6-7-14(12)17-11-10-16-8-2-3-9-16;1-2/h6-7,13H,2-5,8-11H2,1H3;1-2H3
InChIKeyJGAVZYUXXPAGLY-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 54.09
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-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine
CID 166854647
1-[2-(5-Fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine
CID 143167676
1-[2-[(3E)-3-ethyl-5-methylidenehepta-1,3-dien-4-yl]oxyethyl]azepane
CID 89584147
1-[2-(3-Ethyl-5-methylidenehepta-1,3-dien-4-yl)oxyethyl]azepane
CID 123824891
1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
CID 129295757
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-[(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

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine?
The IUPAC name of ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine (CID 143167675) is ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine.
What is the SMILES notation for ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine?
The canonical SMILES for ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine is CC.CC1=C(OCCN2CCCC2)C=CC(F)CC1.
What is the InChIKey of ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine?
The InChIKey is JGAVZYUXXPAGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO.C2H6/c1-12-4-5-13(15)6-7-14(12)17-11-10-16-8-2-3-9-16;1-2/h6-7,13H,2-5,8-11H2,1H3;1-2H3.
What are the key properties of ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine?
ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine has a molecular weight of 269.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine is sourced from PubChem (CID 143167675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).