2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol

C7H9F7O2 — CID 166745172

IUPAC2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol
SMILESOC(O)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C7H9F7O2/c8-1(2(9)4(11)6(13)14)3(10)5(12)7(15)16/h1-7,15-16H
InChIKeyUEALECROPRFEJN-UHFFFAOYSA-N
MW258.13 g/mol
LogP1.25
Rot. Bonds6

About 2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol

2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol (PubChem CID 166745172) has the molecular formula C7H9F7O2 and a molecular weight of 258.13 g/mol. Its IUPAC name is 2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol.

Molecular Properties

Compound Name2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol
PubChem CID166745172
Molecular FormulaC7H9F7O2
Molecular Weight258.13 g/mol
Exact Mass258.05
IUPAC Name2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol
SMILESOC(O)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C7H9F7O2/c8-1(2(9)4(11)6(13)14)3(10)5(12)7(15)16/h1-7,15-16H
InChIKeyUEALECROPRFEJN-UHFFFAOYSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol?
The IUPAC name of 2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol (CID 166745172) is 2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol.
What is the SMILES notation for 2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol?
The canonical SMILES for 2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol is OC(O)C(F)C(F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of 2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol?
The InChIKey is UEALECROPRFEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7O2/c8-1(2(9)4(11)6(13)14)3(10)5(12)7(15)16/h1-7,15-16H.
What are the key properties of 2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol?
2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol has a molecular weight of 258.13 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,7-heptafluoroheptane-1,1-diol is sourced from PubChem (CID 166745172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).