5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane

C11H19F2NO2S — CID 176666126

IUPAC5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane
SMILESCC(C)C1CN(S(=O)(=O)C(F)F)CC2(CC2)C1
InChIInChI=1S/C11H19F2NO2S/c1-8(2)9-5-11(3-4-11)7-14(6-9)17(15,16)10(12)13/h8-10H,3-7H2,1-2H3
InChIKeyGACDERPTIBMWJK-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.30
Rot. Bonds3

About 5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane

5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane (PubChem CID 176666126) has the molecular formula C11H19F2NO2S and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane
PubChem CID176666126
Molecular FormulaC11H19F2NO2S
Molecular Weight267.34 g/mol
Exact Mass267.11
IUPAC Name5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane
SMILESCC(C)C1CN(S(=O)(=O)C(F)F)CC2(CC2)C1
InChIInChI=1S/C11H19F2NO2S/c1-8(2)9-5-11(3-4-11)7-14(6-9)17(15,16)10(12)13/h8-10H,3-7H2,1-2H3
InChIKeyGACDERPTIBMWJK-UHFFFAOYSA-N
XLogP2.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
3-(Difluoromethylsulfonyl)-3-azaspiro[5.5]undecane
CID 58435995
3-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 58689229
3,5-Diethyl-1-(trifluoromethylsulfonyl)piperidine
CID 67670672
3,5-Ditert-butyl-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine
CID 88869797
Difluoro-[4-(2-methylbutan-2-yl)piperidin-1-yl]sulfonylmethanesulfonate
CID 123982039
4-(2-Methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126647929
4-(4-Methylnonan-4-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126648007
4-(3-Methylhexan-3-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126648109
4-(3-Methylnonan-3-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126648172
(4aS)-8-ethyl-2-(trifluoromethylsulfonyl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 143346841
N-[[(2R)-1,2-dimethylcyclopropyl]methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 146948342

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane?
The IUPAC name of 5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane (CID 176666126) is 5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane.
What is the SMILES notation for 5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane?
The canonical SMILES for 5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane is CC(C)C1CN(S(=O)(=O)C(F)F)CC2(CC2)C1.
What is the InChIKey of 5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane?
The InChIKey is GACDERPTIBMWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2S/c1-8(2)9-5-11(3-4-11)7-14(6-9)17(15,16)10(12)13/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane?
5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane has a molecular weight of 267.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane is sourced from PubChem (CID 176666126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).