1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane

C14H10F20 — CID 19776036

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane
SMILESCCC(F)C(F)(C(F)(F)C(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/C14H10F20/c1-3-4(15)7(20,9(23,24)6(2,18)19)10(25,26)12(29,30)14(33,34)13(31,32)11(27,28)8(21,22)5(16)17/h4-5H,3H2,1-2H3
InChIKeyNSSPWLMGEGEHQC-UHFFFAOYSA-N
MW558.19 g/mol
LogP7.81
Rot. Bonds11

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane (PubChem CID 19776036) has the molecular formula C14H10F20 and a molecular weight of 558.19 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane
PubChem CID19776036
Molecular FormulaC14H10F20
Molecular Weight558.19 g/mol
Exact Mass558.05
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane
SMILESCCC(F)C(F)(C(F)(F)C(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/C14H10F20/c1-3-4(15)7(20,9(23,24)6(2,18)19)10(25,26)12(29,30)14(33,34)13(31,32)11(27,28)8(21,22)5(16)17/h4-5H,3H2,1-2H3
InChIKeyNSSPWLMGEGEHQC-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.19
LogP ≤ 57.81
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 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane (CID 19776036) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane is CCC(F)C(F)(C(F)(F)C(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 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane?
The InChIKey is NSSPWLMGEGEHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F20/c1-3-4(15)7(20,9(23,24)6(2,18)19)10(25,26)12(29,30)14(33,34)13(31,32)11(27,28)8(21,22)5(16)17/h4-5H,3H2,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane has a molecular weight of 558.19 g/mol, XLogP of 7.81, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,10,10-nonadecafluoro-8-(1-fluoropropyl)undecane is sourced from PubChem (CID 19776036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).