1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane

C8H9F9 — CID 19807707

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane
SMILESCC(F)(C(F)(F)F)C(C)(F)C(C)(F)C(F)(F)F
InChIInChI=1S/C8H9F9/c1-4(9,5(2,10)7(12,13)14)6(3,11)8(15,16)17/h1-3H3
InChIKeyXLWFKTOXRKUXJA-UHFFFAOYSA-N
MW276.14 g/mol
LogP4.30
Rot. Bonds2

About 1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane

1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane (PubChem CID 19807707) has the molecular formula C8H9F9 and a molecular weight of 276.14 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane
PubChem CID19807707
Molecular FormulaC8H9F9
Molecular Weight276.14 g/mol
Exact Mass276.06
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane
SMILESCC(F)(C(F)(F)F)C(C)(F)C(C)(F)C(F)(F)F
InChIInChI=1S/C8H9F9/c1-4(9,5(2,10)7(12,13)14)6(3,11)8(15,16)17/h1-3H3
InChIKeyXLWFKTOXRKUXJA-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane (CID 19807707) is 1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane is CC(F)(C(F)(F)F)C(C)(F)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane?
The InChIKey is XLWFKTOXRKUXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9/c1-4(9,5(2,10)7(12,13)14)6(3,11)8(15,16)17/h1-3H3.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane?
1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane has a molecular weight of 276.14 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-2,3,4-trimethylpentane is sourced from PubChem (CID 19807707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).