1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane

C12H11F15 — CID 123425795

IUPAC1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane
SMILESCCCCC(F)C(F)(F)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H11F15/c1-2-3-4-5(13)7(15,16)8(17,18)6(14)9(19,20)10(21,22)11(23,24)12(25,26)27/h5-6H,2-4H2,1H3
InChIKeyCRSJFPUWWWWHDX-UHFFFAOYSA-N
MW440.19 g/mol
LogP6.59
Rot. Bonds9

About 1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane

1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane (PubChem CID 123425795) has the molecular formula C12H11F15 and a molecular weight of 440.19 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane
PubChem CID123425795
Molecular FormulaC12H11F15
Molecular Weight440.19 g/mol
Exact Mass440.06
IUPAC Name1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane
SMILESCCCCC(F)C(F)(F)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H11F15/c1-2-3-4-5(13)7(15,16)8(17,18)6(14)9(19,20)10(21,22)11(23,24)12(25,26)27/h5-6H,2-4H2,1H3
InChIKeyCRSJFPUWWWWHDX-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.19
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorodecane
CID 175798759
1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane
CID 175517627
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
CID 142738894
potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate
CID 175345663
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluoroicosan-1-ol
CID 54151908
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane
CID 177342292
1,1,2-trifluorohexan-1-ol
CID 142765310
1,1,1,2,3,3,4-heptafluorodecan-2-ol
CID 139615340
1,2-difluoroheptane-1,1-diol
CID 151949145
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol
CID 149252552
2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane
CID 151380849
lithium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorododecane-1-sulfonate
CID 122481588

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane (CID 123425795) is 1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane is CCCCC(F)C(F)(F)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane?
The InChIKey is CRSJFPUWWWWHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F15/c1-2-3-4-5(13)7(15,16)8(17,18)6(14)9(19,20)10(21,22)11(23,24)12(25,26)27/h5-6H,2-4H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane?
1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane has a molecular weight of 440.19 g/mol, XLogP of 6.59, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane is sourced from PubChem (CID 123425795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).