fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane

C20H54F12O3 — CID 159678024

IUPACfluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane
SMILESC.C.C.C.C.C.C.C.CF.CF.COCC(F)(F)CF.COCF.FCOC(F)(F)C(F)(F)CF
InChIInChI=1S/C4H4F6O.C4H7F3O.C2H5FO.2CH3F.8CH4/c5-1-3(7,8)4(9,10)11-2-6;1-8-3-4(6,7)2-5;1-4-2-3;2*1-2;;;;;;;;/h1-2H2;2-3H2,1H3;2H2,1H3;2*1H3;8*1H4
InChIKeyMUVXSWYDDSKJCD-UHFFFAOYSA-N
MW570.63 g/mol
LogP10.19
Rot. Bonds8

About fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane

fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane (PubChem CID 159678024) has the molecular formula C20H54F12O3 and a molecular weight of 570.63 g/mol. Its IUPAC name is fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane.

Molecular Properties

Compound Namefluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane
PubChem CID159678024
Molecular FormulaC20H54F12O3
Molecular Weight570.63 g/mol
Exact Mass570.39
IUPAC Namefluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane
SMILESC.C.C.C.C.C.C.C.CF.CF.COCC(F)(F)CF.COCF.FCOC(F)(F)C(F)(F)CF
InChIInChI=1S/C4H4F6O.C4H7F3O.C2H5FO.2CH3F.8CH4/c5-1-3(7,8)4(9,10)11-2-6;1-8-3-4(6,7)2-5;1-4-2-3;2*1-2;;;;;;;;/h1-2H2;2-3H2,1H3;2H2,1H3;2*1H3;8*1H4
InChIKeyMUVXSWYDDSKJCD-UHFFFAOYSA-N
XLogP10.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.63
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane?
The IUPAC name of fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane (CID 159678024) is fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane.
What is the SMILES notation for fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane?
The canonical SMILES for fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane is C.C.C.C.C.C.C.C.CF.CF.COCC(F)(F)CF.COCF.FCOC(F)(F)C(F)(F)CF.
What is the InChIKey of fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane?
The InChIKey is MUVXSWYDDSKJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O.C4H7F3O.C2H5FO.2CH3F.8CH4/c5-1-3(7,8)4(9,10)11-2-6;1-8-3-4(6,7)2-5;1-4-2-3;2*1-2;;;;;;;;/h1-2H2;2-3H2,1H3;2H2,1H3;2*1H3;8*1H4.
What are the key properties of fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane?
fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane has a molecular weight of 570.63 g/mol, XLogP of 10.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane is sourced from PubChem (CID 159678024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).