1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane

C10H4F18 — CID 22735005

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane
SMILESCC(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
InChIInChI=1S/C10H4F18/c1-3(13,14)5(17,18)7(21,22)9(25,26)10(27,28)8(23,24)6(19,20)4(15,16)2(11)12/h2H,1H3
InChIKeyNCQOKPYSLGJWTP-UHFFFAOYSA-N
MW466.11 g/mol
LogP6.35
Rot. Bonds8

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane (PubChem CID 22735005) has the molecular formula C10H4F18 and a molecular weight of 466.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane
PubChem CID22735005
Molecular FormulaC10H4F18
Molecular Weight466.11 g/mol
Exact Mass466.00
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane
SMILESCC(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
InChIInChI=1S/C10H4F18/c1-3(13,14)5(17,18)7(21,22)9(25,26)10(27,28)8(23,24)6(19,20)4(15,16)2(11)12/h2H,1H3
InChIKeyNCQOKPYSLGJWTP-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.11
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane (CID 22735005) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane is CC(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.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane?
The InChIKey is NCQOKPYSLGJWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F18/c1-3(13,14)5(17,18)7(21,22)9(25,26)10(27,28)8(23,24)6(19,20)4(15,16)2(11)12/h2H,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane has a molecular weight of 466.11 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane is sourced from PubChem (CID 22735005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).