5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane

C8H14F2N2S — CID 137433048

IUPAC5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane
SMILESCSN1CC2(CCNCC2(F)F)C1
InChIInChI=1S/C8H14F2N2S/c1-13-12-5-7(6-12)2-3-11-4-8(7,9)10/h11H,2-6H2,1H3
InChIKeyUCPBIVZCDYTJHX-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.20
Rot. Bonds1

About 5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane

5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane (PubChem CID 137433048) has the molecular formula C8H14F2N2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane
PubChem CID137433048
Molecular FormulaC8H14F2N2S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane
SMILESCSN1CC2(CCNCC2(F)F)C1
InChIInChI=1S/C8H14F2N2S/c1-13-12-5-7(6-12)2-3-11-4-8(7,9)10/h11H,2-6H2,1H3
InChIKeyUCPBIVZCDYTJHX-UHFFFAOYSA-N
XLogP1.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane (CID 137433048) is 5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane is CSN1CC2(CCNCC2(F)F)C1.
What is the InChIKey of 5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is UCPBIVZCDYTJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2S/c1-13-12-5-7(6-12)2-3-11-4-8(7,9)10/h11H,2-6H2,1H3.
What are the key properties of 5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane?
5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 208.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 137433048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).