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

C13H7F19 — CID 12045644

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene
SMILESC=C(C)CC(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
InChIInChI=1S/C13H7F19/c1-4(2)3-5(14,15)7(17,18)9(21,22)11(25,26)10(23,24)8(19,20)6(16,12(27,28)29)13(30,31)32/h1,3H2,2H3
InChIKeyJKUWEAGRXBGLFS-UHFFFAOYSA-N
MW524.16 g/mol
LogP7.60
Rot. Bonds8

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

4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene (PubChem CID 12045644) has the molecular formula C13H7F19 and a molecular weight of 524.16 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene
PubChem CID12045644
Molecular FormulaC13H7F19
Molecular Weight524.16 g/mol
Exact Mass524.02
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene
SMILESC=C(C)CC(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
InChIInChI=1S/C13H7F19/c1-4(2)3-5(14,15)7(17,18)9(21,22)11(25,26)10(23,24)8(19,20)6(16,12(27,28)29)13(30,31)32/h1,3H2,2H3
InChIKeyJKUWEAGRXBGLFS-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.16
LogP ≤ 57.60
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 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene (CID 12045644) is 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene is C=C(C)CC(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.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene?
The InChIKey is JKUWEAGRXBGLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F19/c1-4(2)3-5(14,15)7(17,18)9(21,22)11(25,26)10(23,24)8(19,20)6(16,12(27,28)29)13(30,31)32/h1,3H2,2H3.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene?
4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene has a molecular weight of 524.16 g/mol, XLogP of 7.60, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-methyl-10-(trifluoromethyl)undec-1-ene is sourced from PubChem (CID 12045644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).