ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine

C17H23FN2 — CID 142811554

IUPACethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine
SMILESC/C1=C(c2cccc(F)c2)/C=N\CN/C=C\C1C.CC
InChIInChI=1S/C15H17FN2.C2H6/c1-11-6-7-17-10-18-9-15(12(11)2)13-4-3-5-14(16)8-13;1-2/h3-9,11,17H,10H2,1-2H3;1-2H3/b7-6-,15-12+,18-9-;
InChIKeyHGBWZTOPYTVAGP-WKRUQSPFSA-N
MW274.38 g/mol
LogP4.41
Rot. Bonds1

About ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine

ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine (PubChem CID 142811554) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine.

Molecular Properties

Compound Nameethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine
PubChem CID142811554
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Nameethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine
SMILESC/C1=C(c2cccc(F)c2)/C=N\CN/C=C\C1C.CC
InChIInChI=1S/C15H17FN2.C2H6/c1-11-6-7-17-10-18-9-15(12(11)2)13-4-3-5-14(16)8-13;1-2/h3-9,11,17H,10H2,1-2H3;1-2H3/b7-6-,15-12+,18-9-;
InChIKeyHGBWZTOPYTVAGP-WKRUQSPFSA-N
XLogP4.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine?
The IUPAC name of ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine (CID 142811554) is ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine.
What is the SMILES notation for ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine?
The canonical SMILES for ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine is C/C1=C(c2cccc(F)c2)/C=N\CN/C=C\C1C.CC.
What is the InChIKey of ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine?
The InChIKey is HGBWZTOPYTVAGP-WKRUQSPFSA-N. The full InChI is InChI=1S/C15H17FN2.C2H6/c1-11-6-7-17-10-18-9-15(12(11)2)13-4-3-5-14(16)8-13;1-2/h3-9,11,17H,10H2,1-2H3;1-2H3/b7-6-,15-12+,18-9-;.
What are the key properties of ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine?
ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine has a molecular weight of 274.38 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine is sourced from PubChem (CID 142811554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).