methane;1,1,2,2-tetrafluoro-1-methoxypropane

C7H18F4O — CID 167696159

IUPACmethane;1,1,2,2-tetrafluoro-1-methoxypropane
SMILESC.C.C.COC(F)(F)C(C)(F)F
InChIInChI=1S/C4H6F4O.3CH4/c1-3(5,6)4(7,8)9-2;;;/h1-2H3;3*1H4
InChIKeyXRMBGHGIYLYSBN-UHFFFAOYSA-N
MW194.21 g/mol
LogP3.79
Rot. Bonds2

About methane;1,1,2,2-tetrafluoro-1-methoxypropane

methane;1,1,2,2-tetrafluoro-1-methoxypropane (PubChem CID 167696159) has the molecular formula C7H18F4O and a molecular weight of 194.21 g/mol. Its IUPAC name is methane;1,1,2,2-tetrafluoro-1-methoxypropane.

Molecular Properties

Compound Namemethane;1,1,2,2-tetrafluoro-1-methoxypropane
PubChem CID167696159
Molecular FormulaC7H18F4O
Molecular Weight194.21 g/mol
Exact Mass194.13
IUPAC Namemethane;1,1,2,2-tetrafluoro-1-methoxypropane
SMILESC.C.C.COC(F)(F)C(C)(F)F
InChIInChI=1S/C4H6F4O.3CH4/c1-3(5,6)4(7,8)9-2;;;/h1-2H3;3*1H4
InChIKeyXRMBGHGIYLYSBN-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 methane;1,1,2,2-tetrafluoro-1-methoxypropane?
The IUPAC name of methane;1,1,2,2-tetrafluoro-1-methoxypropane (CID 167696159) is methane;1,1,2,2-tetrafluoro-1-methoxypropane.
What is the SMILES notation for methane;1,1,2,2-tetrafluoro-1-methoxypropane?
The canonical SMILES for methane;1,1,2,2-tetrafluoro-1-methoxypropane is C.C.C.COC(F)(F)C(C)(F)F.
What is the InChIKey of methane;1,1,2,2-tetrafluoro-1-methoxypropane?
The InChIKey is XRMBGHGIYLYSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O.3CH4/c1-3(5,6)4(7,8)9-2;;;/h1-2H3;3*1H4.
What are the key properties of methane;1,1,2,2-tetrafluoro-1-methoxypropane?
methane;1,1,2,2-tetrafluoro-1-methoxypropane has a molecular weight of 194.21 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,1,2,2-tetrafluoro-1-methoxypropane is sourced from PubChem (CID 167696159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).