1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane

C8H9F9 — CID 13047343

IUPAC1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane
SMILESCC(CCC(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H9F9/c1-4(2-3-6(10,11)12)7(13,14)5(9)8(15,16)17/h4-5H,2-3H2,1H3
InChIKeyFPHBWTBFDZPRDF-UHFFFAOYSA-N
MW276.14 g/mol
LogP4.50
Rot. Bonds4

About 1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane

1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane (PubChem CID 13047343) has the molecular formula C8H9F9 and a molecular weight of 276.14 g/mol. Its IUPAC name is 1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane.

Molecular Properties

Compound Name1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane
PubChem CID13047343
Molecular FormulaC8H9F9
Molecular Weight276.14 g/mol
Exact Mass276.06
IUPAC Name1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane
SMILESCC(CCC(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H9F9/c1-4(2-3-6(10,11)12)7(13,14)5(9)8(15,16)17/h4-5H,2-3H2,1H3
InChIKeyFPHBWTBFDZPRDF-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane?
The IUPAC name of 1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane (CID 13047343) is 1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane.
What is the SMILES notation for 1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane?
The canonical SMILES for 1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane is CC(CCC(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane?
The InChIKey is FPHBWTBFDZPRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9/c1-4(2-3-6(10,11)12)7(13,14)5(9)8(15,16)17/h4-5H,2-3H2,1H3.
What are the key properties of 1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane?
1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane has a molecular weight of 276.14 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane is sourced from PubChem (CID 13047343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).