methyl 3-fluoropropane-1-sulfinate

C4H9FO2S — CID 89243180

IUPACmethyl 3-fluoropropane-1-sulfinate
SMILESCOS(=O)CCCF
InChIInChI=1S/C4H9FO2S/c1-7-8(6)4-2-3-5/h2-4H2,1H3
InChIKeyGQLSJWZAYKFILK-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.66
Rot. Bonds4

About methyl 3-fluoropropane-1-sulfinate

methyl 3-fluoropropane-1-sulfinate (PubChem CID 89243180) has the molecular formula C4H9FO2S and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 3-fluoropropane-1-sulfinate.

Molecular Properties

Compound Namemethyl 3-fluoropropane-1-sulfinate
PubChem CID89243180
Molecular FormulaC4H9FO2S
Molecular Weight140.18 g/mol
Exact Mass140.03
IUPAC Namemethyl 3-fluoropropane-1-sulfinate
SMILESCOS(=O)CCCF
InChIInChI=1S/C4H9FO2S/c1-7-8(6)4-2-3-5/h2-4H2,1H3
InChIKeyGQLSJWZAYKFILK-UHFFFAOYSA-N
XLogP0.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoropropane-1-sulfinate?
The IUPAC name of methyl 3-fluoropropane-1-sulfinate (CID 89243180) is methyl 3-fluoropropane-1-sulfinate.
What is the SMILES notation for methyl 3-fluoropropane-1-sulfinate?
The canonical SMILES for methyl 3-fluoropropane-1-sulfinate is COS(=O)CCCF.
What is the InChIKey of methyl 3-fluoropropane-1-sulfinate?
The InChIKey is GQLSJWZAYKFILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2S/c1-7-8(6)4-2-3-5/h2-4H2,1H3.
What are the key properties of methyl 3-fluoropropane-1-sulfinate?
methyl 3-fluoropropane-1-sulfinate has a molecular weight of 140.18 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoropropane-1-sulfinate is sourced from PubChem (CID 89243180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).