4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane

C9H12F8O — CID 58731925

IUPAC4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane
SMILESCCC(C(C)(F)F)C(F)(OC(F)(F)F)C(C)(F)F
InChIInChI=1S/C9H12F8O/c1-4-5(6(2,10)11)8(14,7(3,12)13)18-9(15,16)17/h5H,4H2,1-3H3
InChIKeyQUENMHFWXDGLER-UHFFFAOYSA-N
MW288.18 g/mol
LogP4.53
Rot. Bonds5

About 4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane

4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane (PubChem CID 58731925) has the molecular formula C9H12F8O and a molecular weight of 288.18 g/mol. Its IUPAC name is 4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane.

Molecular Properties

Compound Name4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane
PubChem CID58731925
Molecular FormulaC9H12F8O
Molecular Weight288.18 g/mol
Exact Mass288.08
IUPAC Name4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane
SMILESCCC(C(C)(F)F)C(F)(OC(F)(F)F)C(C)(F)F
InChIInChI=1S/C9H12F8O/c1-4-5(6(2,10)11)8(14,7(3,12)13)18-9(15,16)17/h5H,4H2,1-3H3
InChIKeyQUENMHFWXDGLER-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane?
The IUPAC name of 4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane (CID 58731925) is 4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane.
What is the SMILES notation for 4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane?
The canonical SMILES for 4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane is CCC(C(C)(F)F)C(F)(OC(F)(F)F)C(C)(F)F.
What is the InChIKey of 4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane?
The InChIKey is QUENMHFWXDGLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F8O/c1-4-5(6(2,10)11)8(14,7(3,12)13)18-9(15,16)17/h5H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane?
4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane has a molecular weight of 288.18 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane is sourced from PubChem (CID 58731925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).