1-(2,2-difluoro-2-methylsulfinylethyl)adamantane

C13H20F2OS — CID 10890685

IUPAC1-(2,2-difluoro-2-methylsulfinylethyl)adamantane
SMILESCS(=O)C(F)(F)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20F2OS/c1-17(16)13(14,15)8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-8H2,1H3
InChIKeyNEEUMLDSGHKVTD-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.56
Rot. Bonds3

About 1-(2,2-difluoro-2-methylsulfinylethyl)adamantane

1-(2,2-difluoro-2-methylsulfinylethyl)adamantane (PubChem CID 10890685) has the molecular formula C13H20F2OS and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-methylsulfinylethyl)adamantane.

Molecular Properties

Compound Name1-(2,2-difluoro-2-methylsulfinylethyl)adamantane
PubChem CID10890685
Molecular FormulaC13H20F2OS
Molecular Weight262.36 g/mol
Exact Mass262.12
IUPAC Name1-(2,2-difluoro-2-methylsulfinylethyl)adamantane
SMILESCS(=O)C(F)(F)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20F2OS/c1-17(16)13(14,15)8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-8H2,1H3
InChIKeyNEEUMLDSGHKVTD-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-difluoro-2-methylsulfinylethyl)adamantane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methylsulfinyladamantane
CID 58341636
1-(1,1,2,2,3,3-Hexafluorobutylsulfonylmethyl)adamantane
CID 58122744
1-(2,2-Difluoro-2-methylsulfonylethyl)adamantane
CID 167691325
1-(1,1,2,2-Tetrafluoro-2-methylsulfonylethyl)adamantane
CID 167691326
1-(Trifluoromethylsulfonylmethyl)adamantane
CID 175373173
1-(2,2-Difluoro-2-methylsulfanylethyl)adamantane
CID 11831732
1-(3,3-Difluoro-3-methylsulfanylpropyl)-3-fluoroadamantane
CID 23236994
1-(3,3-Difluoro-3-methylsulfanylpropyl)-3,5-difluoroadamantane
CID 23236995
1-[2-(1,1-Difluoroethylsulfonyl)ethyl]adamantane
CID 157265959
1-[2-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)ethyl]adamantane
CID 157460405
1-(1,1-Difluoroethylsulfonylmethyl)adamantane
CID 157517657
1-(2-Fluoro-2-methylsulfonylpropyl)adamantane
CID 159924525

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-methylsulfinylethyl)adamantane?
The IUPAC name of 1-(2,2-difluoro-2-methylsulfinylethyl)adamantane (CID 10890685) is 1-(2,2-difluoro-2-methylsulfinylethyl)adamantane.
What is the SMILES notation for 1-(2,2-difluoro-2-methylsulfinylethyl)adamantane?
The canonical SMILES for 1-(2,2-difluoro-2-methylsulfinylethyl)adamantane is CS(=O)C(F)(F)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(2,2-difluoro-2-methylsulfinylethyl)adamantane?
The InChIKey is NEEUMLDSGHKVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2OS/c1-17(16)13(14,15)8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-8H2,1H3.
What are the key properties of 1-(2,2-difluoro-2-methylsulfinylethyl)adamantane?
1-(2,2-difluoro-2-methylsulfinylethyl)adamantane has a molecular weight of 262.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-methylsulfinylethyl)adamantane is sourced from PubChem (CID 10890685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).