10,10-difluoro-2-thia-6-azaspiro[4.5]decane

C8H13F2NS — CID 115019470

IUPAC10,10-difluoro-2-thia-6-azaspiro[4.5]decane
SMILESFC1(F)CCCNC12CCSC2
InChIInChI=1S/C8H13F2NS/c9-8(10)2-1-4-11-7(8)3-5-12-6-7/h11H,1-6H2
InChIKeyORAYNDZJLNREJA-UHFFFAOYSA-N
MW193.26 g/mol
LogP1.88
Rot. Bonds

About 10,10-difluoro-2-thia-6-azaspiro[4.5]decane

10,10-difluoro-2-thia-6-azaspiro[4.5]decane (PubChem CID 115019470) has the molecular formula C8H13F2NS and a molecular weight of 193.26 g/mol. Its IUPAC name is 10,10-difluoro-2-thia-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name10,10-difluoro-2-thia-6-azaspiro[4.5]decane
PubChem CID115019470
Molecular FormulaC8H13F2NS
Molecular Weight193.26 g/mol
Exact Mass193.07
IUPAC Name10,10-difluoro-2-thia-6-azaspiro[4.5]decane
SMILESFC1(F)CCCNC12CCSC2
InChIInChI=1S/C8H13F2NS/c9-8(10)2-1-4-11-7(8)3-5-12-6-7/h11H,1-6H2
InChIKeyORAYNDZJLNREJA-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43730379
N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43730655
N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43747397
4-(Difluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306123
4-(Fluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306178
N-(thiolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 80584129
N-(thiolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 80584250
N-(thiolan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 80585029
N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
CID 105156297
4,4,4-trifluoro-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine
CID 105156482
N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 107131689
N-(thiolan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 107131775

Frequently Asked Questions

What is the IUPAC name of 10,10-difluoro-2-thia-6-azaspiro[4.5]decane?
The IUPAC name of 10,10-difluoro-2-thia-6-azaspiro[4.5]decane (CID 115019470) is 10,10-difluoro-2-thia-6-azaspiro[4.5]decane.
What is the SMILES notation for 10,10-difluoro-2-thia-6-azaspiro[4.5]decane?
The canonical SMILES for 10,10-difluoro-2-thia-6-azaspiro[4.5]decane is FC1(F)CCCNC12CCSC2.
What is the InChIKey of 10,10-difluoro-2-thia-6-azaspiro[4.5]decane?
The InChIKey is ORAYNDZJLNREJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NS/c9-8(10)2-1-4-11-7(8)3-5-12-6-7/h11H,1-6H2.
What are the key properties of 10,10-difluoro-2-thia-6-azaspiro[4.5]decane?
10,10-difluoro-2-thia-6-azaspiro[4.5]decane has a molecular weight of 193.26 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-difluoro-2-thia-6-azaspiro[4.5]decane is sourced from PubChem (CID 115019470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).