1-ethylsulfinyl-3-fluoropropan-2-ol

C5H11FO2S — CID 59155067

IUPAC1-ethylsulfinyl-3-fluoropropan-2-ol
SMILESCCS(=O)CC(O)CF
InChIInChI=1S/C5H11FO2S/c1-2-9(8)4-5(7)3-6/h5,7H,2-4H2,1H3
InChIKeyAWTNRZJQJWYQEI-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.09
Rot. Bonds4

About 1-ethylsulfinyl-3-fluoropropan-2-ol

1-ethylsulfinyl-3-fluoropropan-2-ol (PubChem CID 59155067) has the molecular formula C5H11FO2S and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-ethylsulfinyl-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-ethylsulfinyl-3-fluoropropan-2-ol
PubChem CID59155067
Molecular FormulaC5H11FO2S
Molecular Weight154.21 g/mol
Exact Mass154.05
IUPAC Name1-ethylsulfinyl-3-fluoropropan-2-ol
SMILESCCS(=O)CC(O)CF
InChIInChI=1S/C5H11FO2S/c1-2-9(8)4-5(7)3-6/h5,7H,2-4H2,1H3
InChIKeyAWTNRZJQJWYQEI-UHFFFAOYSA-N
XLogP0.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-((2-Hydroxyethyl)thio)propan-2-ol
CID 110919
2-Propanol, 1,1'-thiobis-
CID 95454
1-Methanesulfonylpropan-2-ol
CID 121569
1-Fluoro-3-(propylsulfanyl)propan-2-ol
CID 113850
1-Ethanol, 2-(butylsulfinyl)-
CID 12518262
2-(2-Fluoroethylsulfinyl)ethanol
CID 54544917
1-(Ethylsulfanyl)-3-fluoropropan-2-ol
CID 59154913
1-Ethylsulfonyl-3-fluoropropan-2-ol
CID 59154963
1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol
CID 89243111
1-(2-Fluoroethylsulfanyl)butan-2-ol
CID 156255462
1-(Ethylsulfonyl)propan-2-ol
CID 305531
Oxyethylisopropyl sulfoxide
CID 129823681

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyl-3-fluoropropan-2-ol?
The IUPAC name of 1-ethylsulfinyl-3-fluoropropan-2-ol (CID 59155067) is 1-ethylsulfinyl-3-fluoropropan-2-ol.
What is the SMILES notation for 1-ethylsulfinyl-3-fluoropropan-2-ol?
The canonical SMILES for 1-ethylsulfinyl-3-fluoropropan-2-ol is CCS(=O)CC(O)CF.
What is the InChIKey of 1-ethylsulfinyl-3-fluoropropan-2-ol?
The InChIKey is AWTNRZJQJWYQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2S/c1-2-9(8)4-5(7)3-6/h5,7H,2-4H2,1H3.
What are the key properties of 1-ethylsulfinyl-3-fluoropropan-2-ol?
1-ethylsulfinyl-3-fluoropropan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-3-fluoropropan-2-ol is sourced from PubChem (CID 59155067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).