sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid

C4H6F3NaO2S — CID 174960077

IUPACsodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid
SMILESO=S(O)C1(C(F)(F)F)CC1.[H-].[Na+]
InChIInChI=1S/C4H5F3O2S.Na.H/c5-4(6,7)3(1-2-3)10(8)9;;/h1-2H2,(H,8,9);;/q;+1;-1
InChIKeyLBKMDGOZJJHXAK-UHFFFAOYSA-N
MW198.14 g/mol
LogP-1.58
Rot. Bonds1

About sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid

sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid (PubChem CID 174960077) has the molecular formula C4H6F3NaO2S and a molecular weight of 198.14 g/mol. Its IUPAC name is sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid.

Molecular Properties

Compound Namesodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid
PubChem CID174960077
Molecular FormulaC4H6F3NaO2S
Molecular Weight198.14 g/mol
Exact Mass197.99
IUPAC Namesodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid
SMILESO=S(O)C1(C(F)(F)F)CC1.[H-].[Na+]
InChIInChI=1S/C4H5F3O2S.Na.H/c5-4(6,7)3(1-2-3)10(8)9;;/h1-2H2,(H,8,9);;/q;+1;-1
InChIKeyLBKMDGOZJJHXAK-UHFFFAOYSA-N
XLogP-1.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethyl)cyclopropane-1-sulfinate
CID 118236232
1,1,1,2,3,3,3-heptafluoropropane-2-sulfinic acid
CID 12522022
(2R,5R)-2,5-dihydroxy-2,5-bis(trifluoromethyl)piperazine-1,4-disulfinic acid
CID 89216079
sodium;hydride;sulfurous acid;hydrate
CID 173091815
sodium;hydride;sulfane;sulfurous acid
CID 174437029
disodium;hydride;sulfurous acid;hydrate
CID 173356771
lithium;sodium;hydride;sulfurous acid;chloride
CID 174932219
disodium;azane;hydride;iron;sulfurous acid
CID 173314683
[1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride
CID 165461488
5-fluoro-3-(trifluoromethyl)-1,2,4-triazole-3-sulfinic acid
CID 91807538
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfinic acid
CID 20977184
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid?
The IUPAC name of sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid (CID 174960077) is sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid.
What is the SMILES notation for sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid?
The canonical SMILES for sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid is O=S(O)C1(C(F)(F)F)CC1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid?
The InChIKey is LBKMDGOZJJHXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2S.Na.H/c5-4(6,7)3(1-2-3)10(8)9;;/h1-2H2,(H,8,9);;/q;+1;-1.
What are the key properties of sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid?
sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid has a molecular weight of 198.14 g/mol, XLogP of -1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid is sourced from PubChem (CID 174960077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).