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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Related Compounds

3-fluoro-4-N,3-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 152025024
(5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane
CID 153371923
(2E,5R)-6-(2-fluoro-2-methylpropyl)-5-methyl-2-[(2Z)-penta-2,4-dienylidene]-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine
CID 154987694
(2Z,4Z)-9-(2-fluoro-2-methylpropyl)-6-methylidene-1,7,8,10-tetrahydropyrido[3,4-b]azocine
CID 154987711
(2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 164922896
1-(1,4-dimethylpyrrolidin-2-yl)-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]ethenamine
CID 166992208
(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine
CID 167291286
(E)-1-N-ethyl-1-N-[(6-fluoro-6-methylcyclohex-3-en-1-yl)methyl]-2-N-methylbut-2-ene-1,2-diamine
CID 170446160
N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 174362793
Ethyl-(1-fluorocyclohexa-2,4-dien-1-yl)-(2-methylpentyl)azanium
CID 23123336
(2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 164923952
(2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidene-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 164924582

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).