4-ethyl-1,1,1,2,3,3-hexafluorohexane

C8H12F6 — CID 15576977

IUPAC4-ethyl-1,1,1,2,3,3-hexafluorohexane
SMILESCCC(CC)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H12F6/c1-3-5(4-2)7(10,11)6(9)8(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyUNBZUZJAAAGZQZ-UHFFFAOYSA-N
MW222.17 g/mol
LogP3.96
Rot. Bonds4

About 4-ethyl-1,1,1,2,3,3-hexafluorohexane

4-ethyl-1,1,1,2,3,3-hexafluorohexane (PubChem CID 15576977) has the molecular formula C8H12F6 and a molecular weight of 222.17 g/mol. Its IUPAC name is 4-ethyl-1,1,1,2,3,3-hexafluorohexane.

Molecular Properties

Compound Name4-ethyl-1,1,1,2,3,3-hexafluorohexane
PubChem CID15576977
Molecular FormulaC8H12F6
Molecular Weight222.17 g/mol
Exact Mass222.08
IUPAC Name4-ethyl-1,1,1,2,3,3-hexafluorohexane
SMILESCCC(CC)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H12F6/c1-3-5(4-2)7(10,11)6(9)8(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyUNBZUZJAAAGZQZ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1,1,2,3,3-hexafluorohexane?
The IUPAC name of 4-ethyl-1,1,1,2,3,3-hexafluorohexane (CID 15576977) is 4-ethyl-1,1,1,2,3,3-hexafluorohexane.
What is the SMILES notation for 4-ethyl-1,1,1,2,3,3-hexafluorohexane?
The canonical SMILES for 4-ethyl-1,1,1,2,3,3-hexafluorohexane is CCC(CC)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 4-ethyl-1,1,1,2,3,3-hexafluorohexane?
The InChIKey is UNBZUZJAAAGZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6/c1-3-5(4-2)7(10,11)6(9)8(12,13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-1,1,1,2,3,3-hexafluorohexane?
4-ethyl-1,1,1,2,3,3-hexafluorohexane has a molecular weight of 222.17 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1,1,2,3,3-hexafluorohexane is sourced from PubChem (CID 15576977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).