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

C8Cl2F16 — CID 2774033

IUPAC1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8Cl2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26
InChIKeyGFQXWORJCNTDPU-UHFFFAOYSA-N
MW470.96 g/mol
LogP6.46
Rot. Bonds7

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

1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane (PubChem CID 2774033) has the molecular formula C8Cl2F16 and a molecular weight of 470.96 g/mol. Its IUPAC name is 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane.

Molecular Properties

Compound Name1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
PubChem CID2774033
Molecular FormulaC8Cl2F16
Molecular Weight470.96 g/mol
Exact Mass469.91
IUPAC Name1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8Cl2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26
InChIKeyGFQXWORJCNTDPU-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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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Related Compounds

1-Chloroheptadecafluorooctane
CID 101641
1,6-Dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
1-Chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
CID 12665887
2-Chloroperfluoroheptane
CID 139815778
Perfluorodichlorooctane
CID 11155650
1,1,1-Trichloro-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptane
CID 14451758
1-Chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane
CID 21115605
1,2,11,12-Tetrachloroperfluorododecane
CID 56776411
Tetradecafluoro-1,2,7,8-tetrachlorooctane
CID 129670085
4-Chloro-1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
CID 14594051
1,10-Dichloroperfluorodecane
CID 2774032
1,1,1,2,2-Pentachloro-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane
CID 13928933

Frequently Asked Questions

What is the IUPAC name of 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane?
The IUPAC name of 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane (CID 2774033) is 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane.
What is the SMILES notation for 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane?
The canonical SMILES for 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane 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)Cl.
What is the InChIKey of 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane?
The InChIKey is GFQXWORJCNTDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26.
What are the key properties of 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane?
1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane has a molecular weight of 470.96 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane is sourced from PubChem (CID 2774033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).