(9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane

C15H24ClFN2 — CID 143833601

IUPAC(9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane
SMILESC=C1/C=C(Cl)\C(F)=C/N(C)CC12CCNCC2.CC
InChIInChI=1S/C13H18ClFN2.C2H6/c1-10-7-11(14)12(15)8-17(2)9-13(10)3-5-16-6-4-13;1-2/h7-8,16H,1,3-6,9H2,2H3;1-2H3/b11-7+,12-8+;
InChIKeyFELQNNJCIXZETR-GCHDFIKQSA-N
MW286.82 g/mol
LogP3.82
Rot. Bonds

About (9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane

(9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane (PubChem CID 143833601) has the molecular formula C15H24ClFN2 and a molecular weight of 286.82 g/mol. Its IUPAC name is (9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane.

Molecular Properties

Compound Name(9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane
PubChem CID143833601
Molecular FormulaC15H24ClFN2
Molecular Weight286.82 g/mol
Exact Mass286.16
IUPAC Name(9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane
SMILESC=C1/C=C(Cl)\C(F)=C/N(C)CC12CCNCC2.CC
InChIInChI=1S/C13H18ClFN2.C2H6/c1-10-7-11(14)12(15)8-17(2)9-13(10)3-5-16-6-4-13;1-2/h7-8,16H,1,3-6,9H2,2H3;1-2H3/b11-7+,12-8+;
InChIKeyFELQNNJCIXZETR-GCHDFIKQSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane?
The IUPAC name of (9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane (CID 143833601) is (9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane.
What is the SMILES notation for (9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane?
The canonical SMILES for (9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane is C=C1/C=C(Cl)\C(F)=C/N(C)CC12CCNCC2.CC.
What is the InChIKey of (9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane?
The InChIKey is FELQNNJCIXZETR-GCHDFIKQSA-N. The full InChI is InChI=1S/C13H18ClFN2.C2H6/c1-10-7-11(14)12(15)8-17(2)9-13(10)3-5-16-6-4-13;1-2/h7-8,16H,1,3-6,9H2,2H3;1-2H3/b11-7+,12-8+;.
What are the key properties of (9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane?
(9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane has a molecular weight of 286.82 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,11E)-11-chloro-10-fluoro-8-methyl-13-methylidene-3,8-diazaspiro[5.7]trideca-9,11-diene;ethane is sourced from PubChem (CID 143833601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).