6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene

C12H11F13 — CID 141221348

IUPAC6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene
SMILESCC=C(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H11F13/c1-3-6(2)4-5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h3H,4-5H2,1-2H3
InChIKeyGZHSKZSYMIEIMA-UHFFFAOYSA-N
MW402.19 g/mol
LogP6.47
Rot. Bonds7

About 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene

6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene (PubChem CID 141221348) has the molecular formula C12H11F13 and a molecular weight of 402.19 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene
PubChem CID141221348
Molecular FormulaC12H11F13
Molecular Weight402.19 g/mol
Exact Mass402.07
IUPAC Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene
SMILESCC=C(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H11F13/c1-3-6(2)4-5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h3H,4-5H2,1-2H3
InChIKeyGZHSKZSYMIEIMA-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.19
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene?
The IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene (CID 141221348) is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene.
What is the SMILES notation for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene?
The canonical SMILES for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene is CC=C(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene?
The InChIKey is GZHSKZSYMIEIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F13/c1-3-6(2)4-5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h3H,4-5H2,1-2H3.
What are the key properties of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene?
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene has a molecular weight of 402.19 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-methylundec-2-ene is sourced from PubChem (CID 141221348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).