1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene

C12F24 — CID 139707428

IUPAC1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene
SMILESFC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F24/c13-1(2(14)4(17,18)19)3(15,16)6(21,22)8(25,26)10(29,30)9(27,28)7(23,24)5(20,11(31,32)33)12(34,35)36
InChIKeyWYNLCAIJFAFLQS-UHFFFAOYSA-N
MW600.08 g/mol
LogP8.34
Rot. Bonds7

About 1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene

1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene (PubChem CID 139707428) has the molecular formula C12F24 and a molecular weight of 600.08 g/mol. Its IUPAC name is 1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene.

Molecular Properties

Compound Name1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene
PubChem CID139707428
Molecular FormulaC12F24
Molecular Weight600.08 g/mol
Exact Mass599.96
IUPAC Name1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene
SMILESFC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F24/c13-1(2(14)4(17,18)19)3(15,16)6(21,22)8(25,26)10(29,30)9(27,28)7(23,24)5(20,11(31,32)33)12(34,35)36
InChIKeyWYNLCAIJFAFLQS-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.08
LogP ≤ 58.34
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 1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene?
The IUPAC name of 1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene (CID 139707428) is 1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene.
What is the SMILES notation for 1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene?
The canonical SMILES for 1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene is FC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene?
The InChIKey is WYNLCAIJFAFLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F24/c13-1(2(14)4(17,18)19)3(15,16)6(21,22)8(25,26)10(29,30)9(27,28)7(23,24)5(20,11(31,32)33)12(34,35)36.
What are the key properties of 1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene?
1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene has a molecular weight of 600.08 g/mol, XLogP of 8.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-henicosafluoro-10-(trifluoromethyl)undec-2-ene is sourced from PubChem (CID 139707428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).