1,1,1,2,2,3,3,4,4-nonafluorododecane

C12H17F9 — CID 10830385

IUPAC1,1,1,2,2,3,3,4,4-nonafluorododecane
SMILESCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F9/c1-2-3-4-5-6-7-8-9(13,14)10(15,16)11(17,18)12(19,20)21/h2-8H2,1H3
InChIKeyXUFPCAMLAPZMPS-UHFFFAOYSA-N
MW332.25 g/mol
LogP6.21
Rot. Bonds9

About 1,1,1,2,2,3,3,4,4-nonafluorododecane

1,1,1,2,2,3,3,4,4-nonafluorododecane (PubChem CID 10830385) has the molecular formula C12H17F9 and a molecular weight of 332.25 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluorododecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluorododecane
PubChem CID10830385
Molecular FormulaC12H17F9
Molecular Weight332.25 g/mol
Exact Mass332.12
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluorododecane
SMILESCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F9/c1-2-3-4-5-6-7-8-9(13,14)10(15,16)11(17,18)12(19,20)21/h2-8H2,1H3
InChIKeyXUFPCAMLAPZMPS-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.25
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorododecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorododecane (CID 10830385) is 1,1,1,2,2,3,3,4,4-nonafluorododecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluorododecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluorododecane is CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluorododecane?
The InChIKey is XUFPCAMLAPZMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F9/c1-2-3-4-5-6-7-8-9(13,14)10(15,16)11(17,18)12(19,20)21/h2-8H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluorododecane?
1,1,1,2,2,3,3,4,4-nonafluorododecane has a molecular weight of 332.25 g/mol, XLogP of 6.21, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluorododecane is sourced from PubChem (CID 10830385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).