(E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene

C12H10F14 — CID 11133559

IUPAC(E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene
SMILESFC(F)(F)C(F)(CC/C=C/CCC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F14/c13-7(9(15,16)17,10(18,19)20)5-3-1-2-4-6-8(14,11(21,22)23)12(24,25)26/h1-2H,3-6H2/b2-1+
InChIKeyHYSAQVOIRKUDIH-OWOJBTEDSA-N
MW420.18 g/mol
LogP6.77
Rot. Bonds6

About (E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene

(E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene (PubChem CID 11133559) has the molecular formula C12H10F14 and a molecular weight of 420.18 g/mol. Its IUPAC name is (E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene
PubChem CID11133559
Molecular FormulaC12H10F14
Molecular Weight420.18 g/mol
Exact Mass420.06
IUPAC Name(E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene
SMILESFC(F)(F)C(F)(CC/C=C/CCC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F14/c13-7(9(15,16)17,10(18,19)20)5-3-1-2-4-6-8(14,11(21,22)23)12(24,25)26/h1-2H,3-6H2/b2-1+
InChIKeyHYSAQVOIRKUDIH-OWOJBTEDSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.18
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene?
The IUPAC name of (E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene (CID 11133559) is (E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene.
What is the SMILES notation for (E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene?
The canonical SMILES for (E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene is FC(F)(F)C(F)(CC/C=C/CCC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene?
The InChIKey is HYSAQVOIRKUDIH-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H10F14/c13-7(9(15,16)17,10(18,19)20)5-3-1-2-4-6-8(14,11(21,22)23)12(24,25)26/h1-2H,3-6H2/b2-1+.
What are the key properties of (E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene?
(E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene has a molecular weight of 420.18 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,9,10,10,10-octafluoro-2,9-bis(trifluoromethyl)dec-5-ene is sourced from PubChem (CID 11133559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).