1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane

C14H23FN2 — CID 129260267

IUPAC1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane
SMILESCC1CCCNCCN(C2=CCC(F)C=C2)C1
InChIInChI=1S/C14H23FN2/c1-12-3-2-8-16-9-10-17(11-12)14-6-4-13(15)5-7-14/h4,6-7,12-13,16H,2-3,5,8-11H2,1H3
InChIKeyGNPCYSMZTCMQFN-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.49
Rot. Bonds1

About 1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane

1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane (PubChem CID 129260267) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane.

Molecular Properties

Compound Name1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane
PubChem CID129260267
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane
SMILESCC1CCCNCCN(C2=CCC(F)C=C2)C1
InChIInChI=1S/C14H23FN2/c1-12-3-2-8-16-9-10-17(11-12)14-6-4-13(15)5-7-14/h4,6-7,12-13,16H,2-3,5,8-11H2,1H3
InChIKeyGNPCYSMZTCMQFN-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane?
The IUPAC name of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane (CID 129260267) is 1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane.
What is the SMILES notation for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane?
The canonical SMILES for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane is CC1CCCNCCN(C2=CCC(F)C=C2)C1.
What is the InChIKey of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane?
The InChIKey is GNPCYSMZTCMQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-12-3-2-8-16-9-10-17(11-12)14-6-4-13(15)5-7-14/h4,6-7,12-13,16H,2-3,5,8-11H2,1H3.
What are the key properties of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane?
1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane has a molecular weight of 238.35 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane is sourced from PubChem (CID 129260267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).