1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol

C10H15F7O2 — CID 87335404

IUPAC1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol
SMILESCC(C)(C(F)F)C(O)C(F)C(O)C(F)C(F)C(F)F
InChIInChI=1S/C10H15F7O2/c1-10(2,9(16)17)7(19)5(13)6(18)3(11)4(12)8(14)15/h3-9,18-19H,1-2H3
InChIKeyKSSBELSKSGUZSA-UHFFFAOYSA-N
MW300.21 g/mol
LogP2.28
Rot. Bonds7

About 1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol

1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol (PubChem CID 87335404) has the molecular formula C10H15F7O2 and a molecular weight of 300.21 g/mol. Its IUPAC name is 1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol.

Molecular Properties

Compound Name1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol
PubChem CID87335404
Molecular FormulaC10H15F7O2
Molecular Weight300.21 g/mol
Exact Mass300.10
IUPAC Name1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol
SMILESCC(C)(C(F)F)C(O)C(F)C(O)C(F)C(F)C(F)F
InChIInChI=1S/C10H15F7O2/c1-10(2,9(16)17)7(19)5(13)6(18)3(11)4(12)8(14)15/h3-9,18-19H,1-2H3
InChIKeyKSSBELSKSGUZSA-UHFFFAOYSA-N
XLogP2.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol?
The IUPAC name of 1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol (CID 87335404) is 1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol.
What is the SMILES notation for 1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol?
The canonical SMILES for 1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol is CC(C)(C(F)F)C(O)C(F)C(O)C(F)C(F)C(F)F.
What is the InChIKey of 1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol?
The InChIKey is KSSBELSKSGUZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F7O2/c1-10(2,9(16)17)7(19)5(13)6(18)3(11)4(12)8(14)15/h3-9,18-19H,1-2H3.
What are the key properties of 1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol?
1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol has a molecular weight of 300.21 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,6,7,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol is sourced from PubChem (CID 87335404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).