[1-(difluoromethyl)cyclopropyl]methanesulfinic acid

C5H8F2O2S — CID 165449183

IUPAC[1-(difluoromethyl)cyclopropyl]methanesulfinic acid
SMILESO=S(O)CC1(C(F)F)CC1
InChIInChI=1S/C5H8F2O2S/c6-4(7)5(1-2-5)3-10(8)9/h4H,1-3H2,(H,8,9)
InChIKeyWJOKOXAQZKHEQP-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.25
Rot. Bonds3

About [1-(difluoromethyl)cyclopropyl]methanesulfinic acid

[1-(difluoromethyl)cyclopropyl]methanesulfinic acid (PubChem CID 165449183) has the molecular formula C5H8F2O2S and a molecular weight of 170.18 g/mol. Its IUPAC name is [1-(difluoromethyl)cyclopropyl]methanesulfinic acid.

Molecular Properties

Compound Name[1-(difluoromethyl)cyclopropyl]methanesulfinic acid
PubChem CID165449183
Molecular FormulaC5H8F2O2S
Molecular Weight170.18 g/mol
Exact Mass170.02
IUPAC Name[1-(difluoromethyl)cyclopropyl]methanesulfinic acid
SMILESO=S(O)CC1(C(F)F)CC1
InChIInChI=1S/C5H8F2O2S/c6-4(7)5(1-2-5)3-10(8)9/h4H,1-3H2,(H,8,9)
InChIKeyWJOKOXAQZKHEQP-UHFFFAOYSA-N
XLogP1.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-(difluoromethyl)cyclopropyl]methanesulfinic 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-(Trifluoromethyl)cyclopropyl]methanesulfonic acid
CID 175078887
(2,2-Difluorocyclopropyl)methanesulfinic acid
CID 140533696
3,3-Difluoro-2,2-dimethylbutane-1-sulfinic acid
CID 165450389
2-(2,2-Difluorocyclopropyl)ethanesulfinic acid
CID 165456032
(2,2-Difluoro-1-methylcyclopropyl)methanesulfinic acid
CID 165863571
Sodium [1-(trifluoromethyl)cyclopropyl]methanesulfinate
CID 165864358
[1-(Trifluoromethyl)cyclopropyl]methanesulfinic acid
CID 165864359
2,2-Dideuterio-2-[1-(trifluoromethyl)cyclopropyl]ethanesulfonic acid
CID 174160314
Sodium [1-(difluoromethyl)cyclopropyl]methanesulfinate
CID 165449182

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)cyclopropyl]methanesulfinic acid?
The IUPAC name of [1-(difluoromethyl)cyclopropyl]methanesulfinic acid (CID 165449183) is [1-(difluoromethyl)cyclopropyl]methanesulfinic acid.
What is the SMILES notation for [1-(difluoromethyl)cyclopropyl]methanesulfinic acid?
The canonical SMILES for [1-(difluoromethyl)cyclopropyl]methanesulfinic acid is O=S(O)CC1(C(F)F)CC1.
What is the InChIKey of [1-(difluoromethyl)cyclopropyl]methanesulfinic acid?
The InChIKey is WJOKOXAQZKHEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2S/c6-4(7)5(1-2-5)3-10(8)9/h4H,1-3H2,(H,8,9).
What are the key properties of [1-(difluoromethyl)cyclopropyl]methanesulfinic acid?
[1-(difluoromethyl)cyclopropyl]methanesulfinic acid has a molecular weight of 170.18 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)cyclopropyl]methanesulfinic acid is sourced from PubChem (CID 165449183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).