1-(fluoromethyl)cyclopropane-1-sulfinic acid

C4H7FO2S — CID 148682531

IUPAC1-(fluoromethyl)cyclopropane-1-sulfinic acid
SMILESO=S(O)C1(CF)CC1
InChIInChI=1S/C4H7FO2S/c5-3-4(1-2-4)8(6)7/h1-3H2,(H,6,7)
InChIKeyNRXCCCDQUNYZCN-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.71
Rot. Bonds2

About 1-(fluoromethyl)cyclopropane-1-sulfinic acid

1-(fluoromethyl)cyclopropane-1-sulfinic acid (PubChem CID 148682531) has the molecular formula C4H7FO2S and a molecular weight of 138.16 g/mol. Its IUPAC name is 1-(fluoromethyl)cyclopropane-1-sulfinic acid.

Molecular Properties

Compound Name1-(fluoromethyl)cyclopropane-1-sulfinic acid
PubChem CID148682531
Molecular FormulaC4H7FO2S
Molecular Weight138.16 g/mol
Exact Mass138.02
IUPAC Name1-(fluoromethyl)cyclopropane-1-sulfinic acid
SMILESO=S(O)C1(CF)CC1
InChIInChI=1S/C4H7FO2S/c5-3-4(1-2-4)8(6)7/h1-3H2,(H,6,7)
InChIKeyNRXCCCDQUNYZCN-UHFFFAOYSA-N
XLogP0.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.71
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 1-(fluoromethyl)cyclopropane-1-sulfinic acid?
The IUPAC name of 1-(fluoromethyl)cyclopropane-1-sulfinic acid (CID 148682531) is 1-(fluoromethyl)cyclopropane-1-sulfinic acid.
What is the SMILES notation for 1-(fluoromethyl)cyclopropane-1-sulfinic acid?
The canonical SMILES for 1-(fluoromethyl)cyclopropane-1-sulfinic acid is O=S(O)C1(CF)CC1.
What is the InChIKey of 1-(fluoromethyl)cyclopropane-1-sulfinic acid?
The InChIKey is NRXCCCDQUNYZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2S/c5-3-4(1-2-4)8(6)7/h1-3H2,(H,6,7).
What are the key properties of 1-(fluoromethyl)cyclopropane-1-sulfinic acid?
1-(fluoromethyl)cyclopropane-1-sulfinic acid has a molecular weight of 138.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)cyclopropane-1-sulfinic acid is sourced from PubChem (CID 148682531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).