1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol

C6H15FO2S — CID 123948336

IUPAC1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol
SMILESCS(C)(C)OCC(O)CF
InChIInChI=1S/C6H15FO2S/c1-10(2,3)9-5-6(8)4-7/h6,8H,4-5H2,1-3H3
InChIKeyGKLFUDAATZXSDN-UHFFFAOYSA-N
MW170.25 g/mol
LogP0.94
Rot. Bonds4

About 1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol

1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol (PubChem CID 123948336) has the molecular formula C6H15FO2S and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol
PubChem CID123948336
Molecular FormulaC6H15FO2S
Molecular Weight170.25 g/mol
Exact Mass170.08
IUPAC Name1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol
SMILESCS(C)(C)OCC(O)CF
InChIInChI=1S/C6H15FO2S/c1-10(2,3)9-5-6(8)4-7/h6,8H,4-5H2,1-3H3
InChIKeyGKLFUDAATZXSDN-UHFFFAOYSA-N
XLogP0.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol?
The IUPAC name of 1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol (CID 123948336) is 1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol.
What is the SMILES notation for 1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol?
The canonical SMILES for 1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol is CS(C)(C)OCC(O)CF.
What is the InChIKey of 1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol?
The InChIKey is GKLFUDAATZXSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FO2S/c1-10(2,3)9-5-6(8)4-7/h6,8H,4-5H2,1-3H3.
What are the key properties of 1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol?
1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(trimethyl-λ4-sulfanyl)oxypropan-2-ol is sourced from PubChem (CID 123948336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).