ethane;bis(1,1,1-trifluoropropane)

C8H16F6 — CID 90995318

IUPACethane;bis(1,1,1-trifluoropropane)
SMILESCC.CCC(F)(F)F.CCC(F)(F)F
InChIInChI=1S/2C3H5F3.C2H6/c2*1-2-3(4,5)6;1-2/h2*2H2,1H3;1-2H3
InChIKeyTXXRZEOWVBEROX-UHFFFAOYSA-N
MW226.20 g/mol
LogP4.94
Rot. Bonds

About ethane;bis(1,1,1-trifluoropropane)

ethane;bis(1,1,1-trifluoropropane) (PubChem CID 90995318) has the molecular formula C8H16F6 and a molecular weight of 226.20 g/mol. Its IUPAC name is ethane;bis(1,1,1-trifluoropropane).

Molecular Properties

Compound Nameethane;bis(1,1,1-trifluoropropane)
PubChem CID90995318
Molecular FormulaC8H16F6
Molecular Weight226.20 g/mol
Exact Mass226.12
IUPAC Nameethane;bis(1,1,1-trifluoropropane)
SMILESCC.CCC(F)(F)F.CCC(F)(F)F
InChIInChI=1S/2C3H5F3.C2H6/c2*1-2-3(4,5)6;1-2/h2*2H2,1H3;1-2H3
InChIKeyTXXRZEOWVBEROX-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(1,1,1-trifluoropropane)?
The IUPAC name of ethane;bis(1,1,1-trifluoropropane) (CID 90995318) is ethane;bis(1,1,1-trifluoropropane).
What is the SMILES notation for ethane;bis(1,1,1-trifluoropropane)?
The canonical SMILES for ethane;bis(1,1,1-trifluoropropane) is CC.CCC(F)(F)F.CCC(F)(F)F.
What is the InChIKey of ethane;bis(1,1,1-trifluoropropane)?
The InChIKey is TXXRZEOWVBEROX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5F3.C2H6/c2*1-2-3(4,5)6;1-2/h2*2H2,1H3;1-2H3.
What are the key properties of ethane;bis(1,1,1-trifluoropropane)?
ethane;bis(1,1,1-trifluoropropane) has a molecular weight of 226.20 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1,1,1-trifluoropropane) is sourced from PubChem (CID 90995318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).