ethane;trihydroxy(trifluoromethyl)-λ4-sulfane

C3H9F3O3S — CID 178137025

IUPACethane;trihydroxy(trifluoromethyl)-λ4-sulfane
SMILESCC.OS(O)(O)C(F)(F)F
InChIInChI=1S/C2H6.CH3F3O3S/c1-2;2-1(3,4)8(5,6)7/h1-2H3;5-7H
InChIKeyQELRRKDKFQOEEB-UHFFFAOYSA-N
MW182.16 g/mol
LogP2.76
Rot. Bonds

About ethane;trihydroxy(trifluoromethyl)-λ4-sulfane

ethane;trihydroxy(trifluoromethyl)-λ4-sulfane (PubChem CID 178137025) has the molecular formula C3H9F3O3S and a molecular weight of 182.16 g/mol. Its IUPAC name is ethane;trihydroxy(trifluoromethyl)-λ4-sulfane.

Molecular Properties

Compound Nameethane;trihydroxy(trifluoromethyl)-λ4-sulfane
PubChem CID178137025
Molecular FormulaC3H9F3O3S
Molecular Weight182.16 g/mol
Exact Mass182.02
IUPAC Nameethane;trihydroxy(trifluoromethyl)-λ4-sulfane
SMILESCC.OS(O)(O)C(F)(F)F
InChIInChI=1S/C2H6.CH3F3O3S/c1-2;2-1(3,4)8(5,6)7/h1-2H3;5-7H
InChIKeyQELRRKDKFQOEEB-UHFFFAOYSA-N
XLogP2.76
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methanethiol;trifluoromethanesulfonic acid
CID 171923949
iodomethane;trifluoromethanesulfonic acid
CID 87959782
dimethyl-bis(trifluoromethyl)-λ4-sulfane
CID 58763512
2,2-difluoropropane;ethane
CID 144524394
sulfuric acid;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 87965023
CID 160972181
CID 160972181
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
trifluoro(methylsulfonyl)methane
CID 11215049
platinum;trifluoromethanesulfonic acid
CID 87655055
trifluoromethanesulfonic acid;zinc
CID 45051803
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112

Frequently Asked Questions

What is the IUPAC name of ethane;trihydroxy(trifluoromethyl)-λ4-sulfane?
The IUPAC name of ethane;trihydroxy(trifluoromethyl)-λ4-sulfane (CID 178137025) is ethane;trihydroxy(trifluoromethyl)-λ4-sulfane.
What is the SMILES notation for ethane;trihydroxy(trifluoromethyl)-λ4-sulfane?
The canonical SMILES for ethane;trihydroxy(trifluoromethyl)-λ4-sulfane is CC.OS(O)(O)C(F)(F)F.
What is the InChIKey of ethane;trihydroxy(trifluoromethyl)-λ4-sulfane?
The InChIKey is QELRRKDKFQOEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CH3F3O3S/c1-2;2-1(3,4)8(5,6)7/h1-2H3;5-7H.
What are the key properties of ethane;trihydroxy(trifluoromethyl)-λ4-sulfane?
ethane;trihydroxy(trifluoromethyl)-λ4-sulfane has a molecular weight of 182.16 g/mol, XLogP of 2.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trihydroxy(trifluoromethyl)-λ4-sulfane is sourced from PubChem (CID 178137025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).