1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane

C8Cl2F16 — CID 11155650

IUPAC1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C8Cl2F16/c9-7(10,23)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(24,25)26
InChIKeyBOEIBTHDYSPVLT-UHFFFAOYSA-N
MW470.96 g/mol
LogP6.46
Rot. Bonds6

About 1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane

1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane (PubChem CID 11155650) has the molecular formula C8Cl2F16 and a molecular weight of 470.96 g/mol. Its IUPAC name is 1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane.

Molecular Properties

Compound Name1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane
PubChem CID11155650
Molecular FormulaC8Cl2F16
Molecular Weight470.96 g/mol
Exact Mass469.91
IUPAC Name1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C8Cl2F16/c9-7(10,23)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(24,25)26
InChIKeyBOEIBTHDYSPVLT-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.96
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane?
The IUPAC name of 1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane (CID 11155650) is 1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane.
What is the SMILES notation for 1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane?
The canonical SMILES for 1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane?
The InChIKey is BOEIBTHDYSPVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl2F16/c9-7(10,23)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(24,25)26.
What are the key properties of 1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane?
1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane has a molecular weight of 470.96 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane is sourced from PubChem (CID 11155650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).