8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane

C7H11F2NS — CID 71306206

IUPAC8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane
SMILESFC(F)C1CCSC12CNC2
InChIInChI=1S/C7H11F2NS/c8-6(9)5-1-2-11-7(5)3-10-4-7/h5-6,10H,1-4H2
InChIKeyREFGQHBIISGFKP-UHFFFAOYSA-N
MW179.23 g/mol
LogP1.35
Rot. Bonds1

About 8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane

8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane (PubChem CID 71306206) has the molecular formula C7H11F2NS and a molecular weight of 179.23 g/mol. Its IUPAC name is 8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane
PubChem CID71306206
Molecular FormulaC7H11F2NS
Molecular Weight179.23 g/mol
Exact Mass179.06
IUPAC Name8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane
SMILESFC(F)C1CCSC12CNC2
InChIInChI=1S/C7H11F2NS/c8-6(9)5-1-2-11-7(5)3-10-4-7/h5-6,10H,1-4H2
InChIKeyREFGQHBIISGFKP-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(Difluoromethyl)-5lambda6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 71306117
8-(Fluoromethyl)-5-thia-2-azaspiro[3.4]octane
CID 71306237
2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine
CID 105439608
2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine
CID 105449352
7,7-Difluoro-5-thia-2-azaspiro[3.4]octane
CID 121229875
7-Fluoro-5-thia-2-azaspiro[3.4]octane
CID 130981862
7,7-Difluoro-5-Thia-2-Azaspiro[3.4]Octane Hydrochloride
CID 131664405
5-Thia-2-azaspiro[3.4]octane
CID 118210528
7-Methyl-5-thia-2-azaspiro[3.4]octane
CID 145156851
(8R)-8-methyl-5-thia-2-azaspiro[3.4]octane
CID 170267719
7-Fluoro-5-thia-2-azaspiro[3.4]octane Hydrochloride
CID 131664412

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane (CID 71306206) is 8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane is FC(F)C1CCSC12CNC2.
What is the InChIKey of 8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane?
The InChIKey is REFGQHBIISGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NS/c8-6(9)5-1-2-11-7(5)3-10-4-7/h5-6,10H,1-4H2.
What are the key properties of 8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane?
8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane has a molecular weight of 179.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 71306206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).