2,3,4,5,6,7,10-heptafluorodecane-1,1-diol

C10H15F7O2 — CID 166745165

IUPAC2,3,4,5,6,7,10-heptafluorodecane-1,1-diol
SMILESOC(O)C(F)C(F)C(F)C(F)C(F)C(F)CCCF
InChIInChI=1S/C10H15F7O2/c11-3-1-2-4(12)5(13)6(14)7(15)8(16)9(17)10(18)19/h4-10,18-19H,1-3H2
InChIKeyDXEYPPRHEMBBIH-UHFFFAOYSA-N
MW300.21 g/mol
LogP2.08
Rot. Bonds9

About 2,3,4,5,6,7,10-heptafluorodecane-1,1-diol

2,3,4,5,6,7,10-heptafluorodecane-1,1-diol (PubChem CID 166745165) has the molecular formula C10H15F7O2 and a molecular weight of 300.21 g/mol. Its IUPAC name is 2,3,4,5,6,7,10-heptafluorodecane-1,1-diol.

Molecular Properties

Compound Name2,3,4,5,6,7,10-heptafluorodecane-1,1-diol
PubChem CID166745165
Molecular FormulaC10H15F7O2
Molecular Weight300.21 g/mol
Exact Mass300.10
IUPAC Name2,3,4,5,6,7,10-heptafluorodecane-1,1-diol
SMILESOC(O)C(F)C(F)C(F)C(F)C(F)C(F)CCCF
InChIInChI=1S/C10H15F7O2/c11-3-1-2-4(12)5(13)6(14)7(15)8(16)9(17)10(18)19/h4-10,18-19H,1-3H2
InChIKeyDXEYPPRHEMBBIH-UHFFFAOYSA-N
XLogP2.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 52.08
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 2,3,4,5,6,7,10-heptafluorodecane-1,1-diol?
The IUPAC name of 2,3,4,5,6,7,10-heptafluorodecane-1,1-diol (CID 166745165) is 2,3,4,5,6,7,10-heptafluorodecane-1,1-diol.
What is the SMILES notation for 2,3,4,5,6,7,10-heptafluorodecane-1,1-diol?
The canonical SMILES for 2,3,4,5,6,7,10-heptafluorodecane-1,1-diol is OC(O)C(F)C(F)C(F)C(F)C(F)C(F)CCCF.
What is the InChIKey of 2,3,4,5,6,7,10-heptafluorodecane-1,1-diol?
The InChIKey is DXEYPPRHEMBBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F7O2/c11-3-1-2-4(12)5(13)6(14)7(15)8(16)9(17)10(18)19/h4-10,18-19H,1-3H2.
What are the key properties of 2,3,4,5,6,7,10-heptafluorodecane-1,1-diol?
2,3,4,5,6,7,10-heptafluorodecane-1,1-diol has a molecular weight of 300.21 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,10-heptafluorodecane-1,1-diol is sourced from PubChem (CID 166745165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).