1-(trifluoromethyl)cyclopropane-1-sulfinic acid

C4H5F3O2S — CID 99938465

IUPAC1-(trifluoromethyl)cyclopropane-1-sulfinic acid
SMILESO=S(O)C1(C(F)(F)F)CC1
InChIInChI=1S/C4H5F3O2S/c5-4(6,7)3(1-2-3)10(8)9/h1-2H2,(H,8,9)
InChIKeyWFDXIKFZRBILFV-UHFFFAOYSA-N
MW174.14 g/mol
LogP1.30
Rot. Bonds1

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

1-(trifluoromethyl)cyclopropane-1-sulfinic acid (PubChem CID 99938465) has the molecular formula C4H5F3O2S and a molecular weight of 174.14 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclopropane-1-sulfinic acid.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclopropane-1-sulfinic acid
PubChem CID99938465
Molecular FormulaC4H5F3O2S
Molecular Weight174.14 g/mol
Exact Mass174.00
IUPAC Name1-(trifluoromethyl)cyclopropane-1-sulfinic acid
SMILESO=S(O)C1(C(F)(F)F)CC1
InChIInChI=1S/C4H5F3O2S/c5-4(6,7)3(1-2-3)10(8)9/h1-2H2,(H,8,9)
InChIKeyWFDXIKFZRBILFV-UHFFFAOYSA-N
XLogP1.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(trifluoromethyl)cyclopropane-1-sulfinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Difluoromethyl)cyclopropane-1-sulfonyl chloride
CID 131316551
Sodium 1-(trifluoromethyl)cyclopropanesulfinate
CID 102338379
1,1,1-Trifluoro-2-methylpropane-2-sulfonic acid
CID 87127927
1,1,2-Trifluoro-2-methylpropane-1-sulfinic acid
CID 87602218
1,1,2-Trifluoro-2-methylpropane-1-sulfonic acid
CID 87672027
2,2-Difluorocyclopropanesulfinic acid
CID 117899692
1-(Trifluoromethyl)cyclopropane-1-sulfinate
CID 118236232
2,2-Difluoro-1-methylcyclopropane-1-sulfinate
CID 118236283
Fluoro cyclopropyl(difluoro)methanesulfonate
CID 161043921
Sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid
CID 174960077
Fluoroform;1,2,2,3-tetrafluorocyclopropane-1-sulfonic acid
CID 175010491
1,1,1-Trifluoro-2-methylpropane-2-sulfinic acid
CID 57433354

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclopropane-1-sulfinic acid?
The IUPAC name of 1-(trifluoromethyl)cyclopropane-1-sulfinic acid (CID 99938465) is 1-(trifluoromethyl)cyclopropane-1-sulfinic acid.
What is the SMILES notation for 1-(trifluoromethyl)cyclopropane-1-sulfinic acid?
The canonical SMILES for 1-(trifluoromethyl)cyclopropane-1-sulfinic acid is O=S(O)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-(trifluoromethyl)cyclopropane-1-sulfinic acid?
The InChIKey is WFDXIKFZRBILFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2S/c5-4(6,7)3(1-2-3)10(8)9/h1-2H2,(H,8,9).
What are the key properties of 1-(trifluoromethyl)cyclopropane-1-sulfinic acid?
1-(trifluoromethyl)cyclopropane-1-sulfinic acid has a molecular weight of 174.14 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclopropane-1-sulfinic acid is sourced from PubChem (CID 99938465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).