difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane

C9H18F8O — CID 90946357

IUPACdifluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane
SMILESCF.CF.FCCOCC(F)(F)CCF.FCF
InChIInChI=1S/C6H10F4O.CH2F2.2CH3F/c7-2-1-6(9,10)5-11-4-3-8;2-1-3;2*1-2/h1-5H2;1H2;2*1H3
InChIKeyUKZAFBWWYPXQEC-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.02
Rot. Bonds6

About difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane

difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane (PubChem CID 90946357) has the molecular formula C9H18F8O and a molecular weight of 294.23 g/mol. Its IUPAC name is difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane.

Molecular Properties

Compound Namedifluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane
PubChem CID90946357
Molecular FormulaC9H18F8O
Molecular Weight294.23 g/mol
Exact Mass294.12
IUPAC Namedifluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane
SMILESCF.CF.FCCOCC(F)(F)CCF.FCF
InChIInChI=1S/C6H10F4O.CH2F2.2CH3F/c7-2-1-6(9,10)5-11-4-3-8;2-1-3;2*1-2/h1-5H2;1H2;2*1H3
InChIKeyUKZAFBWWYPXQEC-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane?
The IUPAC name of difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane (CID 90946357) is difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane.
What is the SMILES notation for difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane?
The canonical SMILES for difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane is CF.CF.FCCOCC(F)(F)CCF.FCF.
What is the InChIKey of difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane?
The InChIKey is UKZAFBWWYPXQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O.CH2F2.2CH3F/c7-2-1-6(9,10)5-11-4-3-8;2-1-3;2*1-2/h1-5H2;1H2;2*1H3.
What are the key properties of difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane?
difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane has a molecular weight of 294.23 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;fluoromethane;2,2,4-trifluoro-1-(2-fluoroethoxy)butane is sourced from PubChem (CID 90946357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).