1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene

C11H7F15 — CID 139624021

IUPAC1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene
SMILESFC(F)=CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F15/c12-5(13)1-6(14,15)2-7(16,17)3-8(18,19)4-9(20,21)10(22,23)11(24,25)26/h1H,2-4H2
InChIKeyJINKIPYSFYAHKQ-UHFFFAOYSA-N
MW424.15 g/mol
LogP6.68
Rot. Bonds8

About 1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene

1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene (PubChem CID 139624021) has the molecular formula C11H7F15 and a molecular weight of 424.15 g/mol. Its IUPAC name is 1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene.

Molecular Properties

Compound Name1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene
PubChem CID139624021
Molecular FormulaC11H7F15
Molecular Weight424.15 g/mol
Exact Mass424.03
IUPAC Name1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene
SMILESFC(F)=CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F15/c12-5(13)1-6(14,15)2-7(16,17)3-8(18,19)4-9(20,21)10(22,23)11(24,25)26/h1H,2-4H2
InChIKeyJINKIPYSFYAHKQ-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.15
LogP ≤ 56.68
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

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CID 162621477
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2,3-bis(3,3,5,5,6,6,7,7,8,8,8-undecafluorooctyl)but-2-enedioic acid
CID 90847082
1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol
CID 10014064
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CID 87800891
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoro-13,13-dimethyltetradecane
CID 167303631
1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane
CID 59211709
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CID 153324351
2-(3,3,5,5,6,6,7,7,8,8,8-undecafluorooctylsulfanyl)ethylazanium
CID 152753054
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene?
The IUPAC name of 1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene (CID 139624021) is 1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene.
What is the SMILES notation for 1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene?
The canonical SMILES for 1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene is FC(F)=CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene?
The InChIKey is JINKIPYSFYAHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F15/c12-5(13)1-6(14,15)2-7(16,17)3-8(18,19)4-9(20,21)10(22,23)11(24,25)26/h1H,2-4H2.
What are the key properties of 1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene?
1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene has a molecular weight of 424.15 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene is sourced from PubChem (CID 139624021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).