trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid

C3H5FO2S — CID 138586087

IUPACtrans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid
SMILESO=S(O)[C@@H]1C[C@H]1F
InChIInChI=1S/C3H5FO2S/c4-2-1-3(2)7(5)6/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1
InChIKeyVQDNVHCUGLFSEN-PWNYCUMCSA-N
MW124.14 g/mol
LogP0.32
Rot. Bonds1

About trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid

trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid (PubChem CID 138586087) has the molecular formula C3H5FO2S and a molecular weight of 124.14 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid
PubChem CID138586087
Molecular FormulaC3H5FO2S
Molecular Weight124.14 g/mol
Exact Mass124.00
IUPAC Nametrans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid
SMILESO=S(O)[C@@H]1C[C@H]1F
InChIInChI=1S/C3H5FO2S/c4-2-1-3(2)7(5)6/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1
InChIKeyVQDNVHCUGLFSEN-PWNYCUMCSA-N
XLogP0.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid?
The IUPAC name of trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid (CID 138586087) is trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid.
What is the SMILES notation for trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid?
The canonical SMILES for trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid is O=S(O)[C@@H]1C[C@H]1F.
What is the InChIKey of trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid?
The InChIKey is VQDNVHCUGLFSEN-PWNYCUMCSA-N. The full InChI is InChI=1S/C3H5FO2S/c4-2-1-3(2)7(5)6/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid?
trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid has a molecular weight of 124.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluorocyclopropane-1-sulfinic acid is sourced from PubChem (CID 138586087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).