3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane

C9H11F9 — CID 19807706

IUPAC3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
SMILESCCC(F)(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C9H11F9/c1-4-7(12,5(2,10)8(13,14)15)6(3,11)9(16,17)18/h4H2,1-3H3
InChIKeyCDPBMWNPYOXWCI-UHFFFAOYSA-N
MW290.17 g/mol
LogP4.69
Rot. Bonds3

About 3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane

3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane (PubChem CID 19807706) has the molecular formula C9H11F9 and a molecular weight of 290.17 g/mol. Its IUPAC name is 3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane.

Molecular Properties

Compound Name3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
PubChem CID19807706
Molecular FormulaC9H11F9
Molecular Weight290.17 g/mol
Exact Mass290.07
IUPAC Name3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
SMILESCCC(F)(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C9H11F9/c1-4-7(12,5(2,10)8(13,14)15)6(3,11)9(16,17)18/h4H2,1-3H3
InChIKeyCDPBMWNPYOXWCI-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane?
The IUPAC name of 3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane (CID 19807706) is 3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane.
What is the SMILES notation for 3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane?
The canonical SMILES for 3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane is CCC(F)(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F.
What is the InChIKey of 3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane?
The InChIKey is CDPBMWNPYOXWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F9/c1-4-7(12,5(2,10)8(13,14)15)6(3,11)9(16,17)18/h4H2,1-3H3.
What are the key properties of 3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane?
3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane has a molecular weight of 290.17 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane is sourced from PubChem (CID 19807706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).