9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane

C14H17ClF2N2 — CID 83082638

IUPAC9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane
SMILESFc1cc(F)c(N2CCNC3(CCCC3)C2)c(Cl)c1
InChIInChI=1S/C14H17ClF2N2/c15-11-7-10(16)8-12(17)13(11)19-6-5-18-14(9-19)3-1-2-4-14/h7-8,18H,1-6,9H2
InChIKeyFSJRQMYNZABCIU-UHFFFAOYSA-N
MW286.75 g/mol
LogP3.34
Rot. Bonds1

About 9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane

9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane (PubChem CID 83082638) has the molecular formula C14H17ClF2N2 and a molecular weight of 286.75 g/mol. Its IUPAC name is 9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane
PubChem CID83082638
Molecular FormulaC14H17ClF2N2
Molecular Weight286.75 g/mol
Exact Mass286.10
IUPAC Name9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane
SMILESFc1cc(F)c(N2CCNC3(CCCC3)C2)c(Cl)c1
InChIInChI=1S/C14H17ClF2N2/c15-11-7-10(16)8-12(17)13(11)19-6-5-18-14(9-19)3-1-2-4-14/h7-8,18H,1-6,9H2
InChIKeyFSJRQMYNZABCIU-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane (CID 83082638) is 9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane is Fc1cc(F)c(N2CCNC3(CCCC3)C2)c(Cl)c1.
What is the InChIKey of 9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is FSJRQMYNZABCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2/c15-11-7-10(16)8-12(17)13(11)19-6-5-18-14(9-19)3-1-2-4-14/h7-8,18H,1-6,9H2.
What are the key properties of 9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane?
9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 286.75 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 83082638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).