1-fluoro-2-methyl-2-methylsulfinylpropane

C5H11FOS — CID 87154773

IUPAC1-fluoro-2-methyl-2-methylsulfinylpropane
SMILESCS(=O)C(C)(C)CF
InChIInChI=1S/C5H11FOS/c1-5(2,4-6)8(3)7/h4H2,1-3H3
InChIKeyJRMWMPYWASVIKJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.11
Rot. Bonds2

About 1-fluoro-2-methyl-2-methylsulfinylpropane

1-fluoro-2-methyl-2-methylsulfinylpropane (PubChem CID 87154773) has the molecular formula C5H11FOS and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-fluoro-2-methyl-2-methylsulfinylpropane.

Molecular Properties

Compound Name1-fluoro-2-methyl-2-methylsulfinylpropane
PubChem CID87154773
Molecular FormulaC5H11FOS
Molecular Weight138.21 g/mol
Exact Mass138.05
IUPAC Name1-fluoro-2-methyl-2-methylsulfinylpropane
SMILESCS(=O)C(C)(C)CF
InChIInChI=1S/C5H11FOS/c1-5(2,4-6)8(3)7/h4H2,1-3H3
InChIKeyJRMWMPYWASVIKJ-UHFFFAOYSA-N
XLogP1.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-Butyl methyl sulfoxide
CID 139684
tert-Butyl methyl sulfoxide, (+)-
CID 10964477
2-(Fluoromethylsulfonyl)-2-methylpropane
CID 13440979
tert-Butyl methyl sulfoxide, (-)-
CID 11094592
1-Fluoro-2-methyl-2-methylsulfonylpropane
CID 87154527
2-Ethylsulfinyl-1-fluoro-2-methylpropane
CID 87155210
2-Ethylsulfinyl-1-fluoropropane
CID 87155749
1-Fluoro-2-methylsulfinylpropane
CID 87156267
1-Fluoro-3-methylsulfinylpropane
CID 89224816
2-Methyl-2-(trifluoromethylsulfinyl)propane
CID 117624036
1-Fluoroethyl-trimethyl-oxo-lambda6-sulfane
CID 126738521
2-(Fluoromethylsulfinyl)-2-methylpropane
CID 162360382

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-2-methylsulfinylpropane?
The IUPAC name of 1-fluoro-2-methyl-2-methylsulfinylpropane (CID 87154773) is 1-fluoro-2-methyl-2-methylsulfinylpropane.
What is the SMILES notation for 1-fluoro-2-methyl-2-methylsulfinylpropane?
The canonical SMILES for 1-fluoro-2-methyl-2-methylsulfinylpropane is CS(=O)C(C)(C)CF.
What is the InChIKey of 1-fluoro-2-methyl-2-methylsulfinylpropane?
The InChIKey is JRMWMPYWASVIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FOS/c1-5(2,4-6)8(3)7/h4H2,1-3H3.
What are the key properties of 1-fluoro-2-methyl-2-methylsulfinylpropane?
1-fluoro-2-methyl-2-methylsulfinylpropane has a molecular weight of 138.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-2-methylsulfinylpropane is sourced from PubChem (CID 87154773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).