fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane

C10H20F6O — CID 91313266

IUPACfluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane
SMILESCCCOC(F)(F)C(F)(F)CC.CCF.CF
InChIInChI=1S/C7H12F4O.C2H5F.CH3F/c1-3-5-12-7(10,11)6(8,9)4-2;1-2-3;1-2/h3-5H2,1-2H3;2H2,1H3;1H3
InChIKeyOBRYGRPEFDFUCR-UHFFFAOYSA-N
MW270.26 g/mol
LogP4.61
Rot. Bonds5

About fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane

fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane (PubChem CID 91313266) has the molecular formula C10H20F6O and a molecular weight of 270.26 g/mol. Its IUPAC name is fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane.

Molecular Properties

Compound Namefluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane
PubChem CID91313266
Molecular FormulaC10H20F6O
Molecular Weight270.26 g/mol
Exact Mass270.14
IUPAC Namefluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane
SMILESCCCOC(F)(F)C(F)(F)CC.CCF.CF
InChIInChI=1S/C7H12F4O.C2H5F.CH3F/c1-3-5-12-7(10,11)6(8,9)4-2;1-2-3;1-2/h3-5H2,1-2H3;2H2,1H3;1H3
InChIKeyOBRYGRPEFDFUCR-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 54.61
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 fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane?
The IUPAC name of fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane (CID 91313266) is fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane.
What is the SMILES notation for fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane?
The canonical SMILES for fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane is CCCOC(F)(F)C(F)(F)CC.CCF.CF.
What is the InChIKey of fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane?
The InChIKey is OBRYGRPEFDFUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O.C2H5F.CH3F/c1-3-5-12-7(10,11)6(8,9)4-2;1-2-3;1-2/h3-5H2,1-2H3;2H2,1H3;1H3.
What are the key properties of fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane?
fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane has a molecular weight of 270.26 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;fluoromethane;1,1,2,2-tetrafluoro-1-propoxybutane is sourced from PubChem (CID 91313266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).