1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane

C10Cl2F20 — CID 2774032

IUPAC1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C10Cl2F20/c11-9(29,30)7(25,26)5(21,22)3(17,18)1(13,14)2(15,16)4(19,20)6(23,24)8(27,28)10(12,31)32
InChIKeyURMYIKJKCYYLMX-UHFFFAOYSA-N
MW570.98 g/mol
LogP7.73
Rot. Bonds9

About 1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane

1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane (PubChem CID 2774032) has the molecular formula C10Cl2F20 and a molecular weight of 570.98 g/mol. Its IUPAC name is 1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane.

Molecular Properties

Compound Name1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane
PubChem CID2774032
Molecular FormulaC10Cl2F20
Molecular Weight570.98 g/mol
Exact Mass569.91
IUPAC Name1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C10Cl2F20/c11-9(29,30)7(25,26)5(21,22)3(17,18)1(13,14)2(15,16)4(19,20)6(23,24)8(27,28)10(12,31)32
InChIKeyURMYIKJKCYYLMX-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.98
LogP ≤ 57.73
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 1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane?
The IUPAC name of 1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane (CID 2774032) is 1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane.
What is the SMILES notation for 1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane?
The canonical SMILES for 1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane is FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane?
The InChIKey is URMYIKJKCYYLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl2F20/c11-9(29,30)7(25,26)5(21,22)3(17,18)1(13,14)2(15,16)4(19,20)6(23,24)8(27,28)10(12,31)32.
What are the key properties of 1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane?
1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane has a molecular weight of 570.98 g/mol, XLogP of 7.73, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane is sourced from PubChem (CID 2774032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).