6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol

C10H15F7O2 — CID 21293389

IUPAC6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol
SMILESCC(C)(C)C(O)CC(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h5-6,18-19H,4H2,1-3H3
InChIKeyCEUYTDVKBAPCPW-UHFFFAOYSA-N
MW300.21 g/mol
LogP2.98
Rot. Bonds4

About 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol

6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol (PubChem CID 21293389) has the molecular formula C10H15F7O2 and a molecular weight of 300.21 g/mol. Its IUPAC name is 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol.

Molecular Properties

Compound Name6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol
PubChem CID21293389
Molecular FormulaC10H15F7O2
Molecular Weight300.21 g/mol
Exact Mass300.10
IUPAC Name6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol
SMILESCC(C)(C)C(O)CC(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h5-6,18-19H,4H2,1-3H3
InChIKeyCEUYTDVKBAPCPW-UHFFFAOYSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol?
The IUPAC name of 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol (CID 21293389) is 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol.
What is the SMILES notation for 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol?
The canonical SMILES for 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol is CC(C)(C)C(O)CC(O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol?
The InChIKey is CEUYTDVKBAPCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h5-6,18-19H,4H2,1-3H3.
What are the key properties of 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol?
6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol has a molecular weight of 300.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol is sourced from PubChem (CID 21293389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).