4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane

C9H15F2NS — CID 71306123

IUPAC4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane
SMILESFC(F)C1CCSC12CCNCC2
InChIInChI=1S/C9H15F2NS/c10-8(11)7-1-6-13-9(7)2-4-12-5-3-9/h7-8,12H,1-6H2
InChIKeyYMRUJWGYPZFFHQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.13
Rot. Bonds1

About 4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane

4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane (PubChem CID 71306123) has the molecular formula C9H15F2NS and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane
PubChem CID71306123
Molecular FormulaC9H15F2NS
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane
SMILESFC(F)C1CCSC12CCNCC2
InChIInChI=1S/C9H15F2NS/c10-8(11)7-1-6-13-9(7)2-4-12-5-3-9/h7-8,12H,1-6H2
InChIKeyYMRUJWGYPZFFHQ-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-{[(2,2,2-Trifluoroethyl)sulfanyl]methyl}piperidine hydrochloride
CID 66802878
4-(2,2,2-Trifluoroethylsulfanylmethyl)piperidine
CID 66802879
2-[5-(Trifluoromethyl)piperidin-2-yl]sulfanylethanamine
CID 140479016
4-(Difluoromethyl)-1lambda6-thia-8-azaspiro[4.5]decane 1,1-dioxide
CID 71306011
4-(Difluoromethyl)-1-thia-9-azaspiro[4.6]undecane
CID 71306081
4-(Difluoromethyl)-1-thia-7-azaspiro[4.4]nonane
CID 71306166
4-(Fluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306178
4-(Fluoromethyl)-1-thia-7-azaspiro[4.4]nonane
CID 71306211
2,2,2-trifluoro-N-[2-(thian-4-yl)ethyl]ethanamine
CID 83145591
2,2-difluoro-N-[2-(thian-4-yl)ethyl]ethanamine
CID 83145780
3-Fluoro-3-(thian-4-yl)pyrrolidine
CID 83817907
4-Fluoro-4-(thian-4-yl)piperidine
CID 83819654

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane?
The IUPAC name of 4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane (CID 71306123) is 4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane is FC(F)C1CCSC12CCNCC2.
What is the InChIKey of 4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane?
The InChIKey is YMRUJWGYPZFFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NS/c10-8(11)7-1-6-13-9(7)2-4-12-5-3-9/h7-8,12H,1-6H2.
What are the key properties of 4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane?
4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane has a molecular weight of 207.29 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 71306123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).