sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate

C4H4F3NaO2S — CID 102338379

IUPACsodium 1-(trifluoromethyl)cyclopropane-1-sulfinate
SMILESO=S([O-])C1(C(F)(F)F)CC1.[Na+]
InChIInChI=1S/C4H5F3O2S.Na/c5-4(6,7)3(1-2-3)10(8)9;/h1-2H2,(H,8,9);/q;+1/p-1
InChIKeyIZLDENBRBYPDNY-UHFFFAOYSA-M
MW196.12 g/mol
LogP-2.04
Rot. Bonds1

About sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate

sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate (PubChem CID 102338379) has the molecular formula C4H4F3NaO2S and a molecular weight of 196.12 g/mol. Its IUPAC name is sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate.

Molecular Properties

Compound Namesodium 1-(trifluoromethyl)cyclopropane-1-sulfinate
PubChem CID102338379
Molecular FormulaC4H4F3NaO2S
Molecular Weight196.12 g/mol
Exact Mass195.98
IUPAC Namesodium 1-(trifluoromethyl)cyclopropane-1-sulfinate
SMILESO=S([O-])C1(C(F)(F)F)CC1.[Na+]
InChIInChI=1S/C4H5F3O2S.Na/c5-4(6,7)3(1-2-3)10(8)9;/h1-2H2,(H,8,9);/q;+1/p-1
InChIKeyIZLDENBRBYPDNY-UHFFFAOYSA-M
XLogP-2.04
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Difluoromethyl)cyclopropane-1-sulfonyl chloride
CID 131316551
1-(Trifluoromethyl)cyclopropane-1-sulfinate
CID 118236232
2,2-Difluoro-1-methylcyclopropane-1-sulfinate
CID 118236283
(2,2-Difluorocyclopropyl)methanesulfinate
CID 140533695
1-(Fluoromethyl)cyclopropane-1-sulfinate
CID 152748881
CID 157712601
CID 157712601
Fluoro cyclopropyl(difluoro)methanesulfonate
CID 161043921
Sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid
CID 174960077
Sodium;hydride;trifluoromethyl cyclopropanesulfinate
CID 175134707
1-(Trifluoromethyl)cyclopropane-1-sulfinic acid
CID 99938465
2,2-Difluoro-1-methyl-cyclopropanesulfinic acid
CID 118236284
Sodium [1-(trifluoromethyl)cyclopropyl]methanesulfinate
CID 165864358

Frequently Asked Questions

What is the IUPAC name of sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate?
The IUPAC name of sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate (CID 102338379) is sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate.
What is the SMILES notation for sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate?
The canonical SMILES for sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate is O=S([O-])C1(C(F)(F)F)CC1.[Na+].
What is the InChIKey of sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate?
The InChIKey is IZLDENBRBYPDNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5F3O2S.Na/c5-4(6,7)3(1-2-3)10(8)9;/h1-2H2,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate?
sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate has a molecular weight of 196.12 g/mol, XLogP of -2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-(trifluoromethyl)cyclopropane-1-sulfinate is sourced from PubChem (CID 102338379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).