1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane

C10H13F9 — CID 18711328

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane
SMILESCC(C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F9/c1-5(6(2,3)4)7(11,12)8(13,14)9(15,16)10(17,18)19/h5H,1-4H3
InChIKeySVBJPKIFMGDXKB-UHFFFAOYSA-N
MW304.20 g/mol
LogP5.14
Rot. Bonds3

About 1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane

1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane (PubChem CID 18711328) has the molecular formula C10H13F9 and a molecular weight of 304.20 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane
PubChem CID18711328
Molecular FormulaC10H13F9
Molecular Weight304.20 g/mol
Exact Mass304.09
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane
SMILESCC(C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F9/c1-5(6(2,3)4)7(11,12)8(13,14)9(15,16)10(17,18)19/h5H,1-4H3
InChIKeySVBJPKIFMGDXKB-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.20
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane (CID 18711328) is 1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane is CC(C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane?
The InChIKey is SVBJPKIFMGDXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F9/c1-5(6(2,3)4)7(11,12)8(13,14)9(15,16)10(17,18)19/h5H,1-4H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane?
1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane has a molecular weight of 304.20 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluoro-5,6,6-trimethylheptane is sourced from PubChem (CID 18711328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).