fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid

C15H29F15O9S2 — CID 158740018

IUPACfluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid
SMILESCCF.CCF.CF.CF.FCOC(F)(F)CC(F)(F)F.O=S(=O)(O)COC(CF)C(F)(F)F.O=S(=O)(O)COF
InChIInChI=1S/C4H4F6O.C4H6F4O4S.2C2H5F.CH3FO4S.2CH3F/c5-2-11-4(9,10)1-3(6,7)8;5-1-3(4(6,7)8)12-2-13(9,10)11;2*1-2-3;2-6-1-7(3,4)5;2*1-2/h1-2H2;3H,1-2H2,(H,9,10,11);2*2H2,1H3;1H2,(H,3,4,5);2*1H3
InChIKeyIMECPQQLLKKZMF-UHFFFAOYSA-N
MW702.49 g/mol
LogP6.08
Rot. Bonds9

About fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid

fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid (PubChem CID 158740018) has the molecular formula C15H29F15O9S2 and a molecular weight of 702.49 g/mol. Its IUPAC name is fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid.

Molecular Properties

Compound Namefluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid
PubChem CID158740018
Molecular FormulaC15H29F15O9S2
Molecular Weight702.49 g/mol
Exact Mass702.10
IUPAC Namefluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid
SMILESCCF.CCF.CF.CF.FCOC(F)(F)CC(F)(F)F.O=S(=O)(O)COC(CF)C(F)(F)F.O=S(=O)(O)COF
InChIInChI=1S/C4H4F6O.C4H6F4O4S.2C2H5F.CH3FO4S.2CH3F/c5-2-11-4(9,10)1-3(6,7)8;5-1-3(4(6,7)8)12-2-13(9,10)11;2*1-2-3;2-6-1-7(3,4)5;2*1-2/h1-2H2;3H,1-2H2,(H,9,10,11);2*2H2,1H3;1H2,(H,3,4,5);2*1H3
InChIKeyIMECPQQLLKKZMF-UHFFFAOYSA-N
XLogP6.08
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.49
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic 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

1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane
CID 58114569
difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane
CID 159473571
fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane
CID 91573430
bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane
CID 158390889
1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite
CID 158817441
bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane
CID 160875126
1-fluoroethoxymethanesulfonic acid
CID 23382961
2-[3-(5,5-difluorohexan-3-yloxy)-1,1,1-trifluoropropan-2-yl]oxy-2,2-difluoroethanesulfonic acid
CID 161208498
difluoro(fluoromethoxy)methanesulfonic acid
CID 126576986
fluoroethane;fluoro(fluoromethoxy)methane;fluoromethane;1,1,2,2,3-pentafluoro-1-(1,1,2-trifluoroethoxy)propane;hexakis(sulfuryl difluoride);bis(1,1,2,2-tetrafluoro-1,2-bis(1,1,2-trifluoroethoxy)ethane);1,1,2-trifluoro-1-(fluoromethoxy)ethane
CID 161264140
2,2,3,4,4,5,5-heptafluorohexan-3-yloxymethanesulfonic acid
CID 87982418
1,1,2,2,4,4,4-heptafluorobutane-1-sulfonic acid;N-methylmethanamine
CID 175157246

Frequently Asked Questions

What is the IUPAC name of fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid?
The IUPAC name of fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid (CID 158740018) is fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid.
What is the SMILES notation for fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid?
The canonical SMILES for fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid is CCF.CCF.CF.CF.FCOC(F)(F)CC(F)(F)F.O=S(=O)(O)COC(CF)C(F)(F)F.O=S(=O)(O)COF.
What is the InChIKey of fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid?
The InChIKey is IMECPQQLLKKZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O.C4H6F4O4S.2C2H5F.CH3FO4S.2CH3F/c5-2-11-4(9,10)1-3(6,7)8;5-1-3(4(6,7)8)12-2-13(9,10)11;2*1-2-3;2-6-1-7(3,4)5;2*1-2/h1-2H2;3H,1-2H2,(H,9,10,11);2*2H2,1H3;1H2,(H,3,4,5);2*1H3.
What are the key properties of fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid?
fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid has a molecular weight of 702.49 g/mol, XLogP of 6.08, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid is sourced from PubChem (CID 158740018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).