3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine

C6H14FNOS — CID 81202155

IUPAC3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)CCF
InChIInChI=1S/C6H14FNOS/c1-6(4-8)5-10(9)3-2-7/h6H,2-5,8H2,1H3
InChIKeyDNQZIVBMBMWAHU-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.30
Rot. Bonds5

About 3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine

3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine (PubChem CID 81202155) has the molecular formula C6H14FNOS and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine
PubChem CID81202155
Molecular FormulaC6H14FNOS
Molecular Weight167.25 g/mol
Exact Mass167.08
IUPAC Name3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)CCF
InChIInChI=1S/C6H14FNOS/c1-6(4-8)5-10(9)3-2-7/h6H,2-5,8H2,1H3
InChIKeyDNQZIVBMBMWAHU-UHFFFAOYSA-N
XLogP0.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Aminoethanesulfinyl)-2-methylpropane
CID 54592933
3-Methanesulfinylpropan-1-amine
CID 21259994
3-[(S)-methylsulfinyl]propan-1-amine
CID 51534039
3-(3,3,3-Trifluoropropylsulfinyl)propan-1-amine
CID 58684096
3-(2,2,2-Trifluoroethylsulfinyl)propan-1-amine
CID 58684156
3-(3-Fluoropropylsulfinyl)propan-1-amine
CID 58684382
3-(2-Fluoroethylsulfinyl)propan-1-amine
CID 58684411
3-(4,4,4-Trifluorobutylsulfinyl)propan-1-amine
CID 58684519
2-(4-Fluorobutylsulfinyl)ethanamine
CID 58684612
2-(3-Fluoropropylsulfinyl)ethanamine
CID 58684634
2-(2-Fluoroethylsulfinyl)ethanamine
CID 58684761
2-(4,4,4-Trifluorobutylsulfinyl)ethanamine
CID 58684777

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine (CID 81202155) is 3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine is CC(CN)CS(=O)CCF.
What is the InChIKey of 3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine?
The InChIKey is DNQZIVBMBMWAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNOS/c1-6(4-8)5-10(9)3-2-7/h6H,2-5,8H2,1H3.
What are the key properties of 3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine?
3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylsulfinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 81202155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).