ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane

C8H15F7 — CID 91082643

IUPACethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane
SMILESCC.CC.CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7.2C2H6/c1-2(5,3(6,7)8)4(9,10)11;2*1-2/h1H3;2*1-2H3
InChIKeyIKQLKLKKCYACAD-UHFFFAOYSA-N
MW244.19 g/mol
LogP4.89
Rot. Bonds

About ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane

ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane (PubChem CID 91082643) has the molecular formula C8H15F7 and a molecular weight of 244.19 g/mol. Its IUPAC name is ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane.

Molecular Properties

Compound Nameethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane
PubChem CID91082643
Molecular FormulaC8H15F7
Molecular Weight244.19 g/mol
Exact Mass244.11
IUPAC Nameethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane
SMILESCC.CC.CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7.2C2H6/c1-2(5,3(6,7)8)4(9,10)11;2*1-2/h1H3;2*1-2H3
InChIKeyIKQLKLKKCYACAD-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane?
The IUPAC name of ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane (CID 91082643) is ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane.
What is the SMILES notation for ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane?
The canonical SMILES for ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane is CC.CC.CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane?
The InChIKey is IKQLKLKKCYACAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7.2C2H6/c1-2(5,3(6,7)8)4(9,10)11;2*1-2/h1H3;2*1-2H3.
What are the key properties of ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane?
ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane has a molecular weight of 244.19 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1,2,3,3,3-heptafluoro-2-methylpropane is sourced from PubChem (CID 91082643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).