bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane

C11H21F9 — CID 91298680

IUPACbis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane
SMILESCCC(CF)C(F)(F)F.CCF.FCCF.FCCF
InChIInChI=1S/C5H8F4.2C2H4F2.C2H5F/c1-2-4(3-6)5(7,8)9;2*3-1-2-4;1-2-3/h4H,2-3H2,1H3;2*1-2H2;2H2,1H3
InChIKeyQAHGYSGFCTWSDE-UHFFFAOYSA-N
MW324.27 g/mol
LogP5.37
Rot. Bonds4

About bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane

bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane (PubChem CID 91298680) has the molecular formula C11H21F9 and a molecular weight of 324.27 g/mol. Its IUPAC name is bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane.

Molecular Properties

Compound Namebis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane
PubChem CID91298680
Molecular FormulaC11H21F9
Molecular Weight324.27 g/mol
Exact Mass324.15
IUPAC Namebis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane
SMILESCCC(CF)C(F)(F)F.CCF.FCCF.FCCF
InChIInChI=1S/C5H8F4.2C2H4F2.C2H5F/c1-2-4(3-6)5(7,8)9;2*3-1-2-4;1-2-3/h4H,2-3H2,1H3;2*1-2H2;2H2,1H3
InChIKeyQAHGYSGFCTWSDE-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.27
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane?
The IUPAC name of bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane (CID 91298680) is bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane.
What is the SMILES notation for bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane?
The canonical SMILES for bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane is CCC(CF)C(F)(F)F.CCF.FCCF.FCCF.
What is the InChIKey of bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane?
The InChIKey is QAHGYSGFCTWSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4.2C2H4F2.C2H5F/c1-2-4(3-6)5(7,8)9;2*3-1-2-4;1-2-3/h4H,2-3H2,1H3;2*1-2H2;2H2,1H3.
What are the key properties of bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane?
bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane has a molecular weight of 324.27 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-difluoroethane);fluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane is sourced from PubChem (CID 91298680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).