1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane

C10H15F7 — CID 14941551

IUPAC1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane
SMILESCC(C)(C)CCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F7/c1-7(2,3)5-4-6-8(11,12)9(13,14)10(15,16)17/h4-6H2,1-3H3
InChIKeyWMRVAYHMYTZZOT-UHFFFAOYSA-N
MW268.22 g/mol
LogP5.04
Rot. Bonds4

About 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane

1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane (PubChem CID 14941551) has the molecular formula C10H15F7 and a molecular weight of 268.22 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane
PubChem CID14941551
Molecular FormulaC10H15F7
Molecular Weight268.22 g/mol
Exact Mass268.11
IUPAC Name1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane
SMILESCC(C)(C)CCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F7/c1-7(2,3)5-4-6-8(11,12)9(13,14)10(15,16)17/h4-6H2,1-3H3
InChIKeyWMRVAYHMYTZZOT-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.22
LogP ≤ 55.04
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-heptafluoro-7,7-dimethyloctane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane (CID 14941551) is 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane is CC(C)(C)CCCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane?
The InChIKey is WMRVAYHMYTZZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F7/c1-7(2,3)5-4-6-8(11,12)9(13,14)10(15,16)17/h4-6H2,1-3H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane?
1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane has a molecular weight of 268.22 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane is sourced from PubChem (CID 14941551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).