1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol

C10H6F16O2 — CID 87439552

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol
SMILESOC(F)C(F)C(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C10H6F16O2/c11-1(2(12)4(14)27)3(13)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)28/h1-4,27-28H
InChIKeyVRPUFNPERXNNGE-UHFFFAOYSA-N
MW462.12 g/mol
LogP4.05
Rot. Bonds9

About 1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol

1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol (PubChem CID 87439552) has the molecular formula C10H6F16O2 and a molecular weight of 462.12 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol
PubChem CID87439552
Molecular FormulaC10H6F16O2
Molecular Weight462.12 g/mol
Exact Mass462.01
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol
SMILESOC(F)C(F)C(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C10H6F16O2/c11-1(2(12)4(14)27)3(13)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)28/h1-4,27-28H
InChIKeyVRPUFNPERXNNGE-UHFFFAOYSA-N
XLogP4.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.12
LogP ≤ 54.05
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 1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol (CID 87439552) is 1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol is OC(F)C(F)C(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol?
The InChIKey is VRPUFNPERXNNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F16O2/c11-1(2(12)4(14)27)3(13)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)28/h1-4,27-28H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol?
1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol has a molecular weight of 462.12 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10-hexadecafluorodecane-1,10-diol is sourced from PubChem (CID 87439552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).