1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene

C14H7F11O — CID 88657051

IUPAC1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene
SMILESC=Cc1ccc(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C14H7F11O/c1-2-7-3-5-8(6-4-7)26-10(16)9(15)11(17,18)12(19,20)13(21,22)14(23,24)25/h2-6H,1H2
InChIKeyBJERRCKLKRIISC-UHFFFAOYSA-N
MW400.19 g/mol
LogP6.28
Rot. Bonds6

About 1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene

1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene (PubChem CID 88657051) has the molecular formula C14H7F11O and a molecular weight of 400.19 g/mol. Its IUPAC name is 1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene
PubChem CID88657051
Molecular FormulaC14H7F11O
Molecular Weight400.19 g/mol
Exact Mass400.03
IUPAC Name1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene
SMILESC=Cc1ccc(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C14H7F11O/c1-2-7-3-5-8(6-4-7)26-10(16)9(15)11(17,18)12(19,20)13(21,22)14(23,24)25/h2-6H,1H2
InChIKeyBJERRCKLKRIISC-UHFFFAOYSA-N
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.19
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

CID 162322327
CID 162322327
sodium 4-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy]benzenesulfonate
CID 90473768
4-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enoxy)benzenesulfonic acid
CID 165364616
sodium 4-[(E)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy]benzenesulfonate
CID 101328611
1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene
CID 171042002
sodium [4-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)phenyl]methyl-hydroxyphosphinate
CID 138394917
1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol
CID 87974106
3-bromo-5-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)aniline
CID 139811454
3-methoxy-5-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzoic acid
CID 139811395
3-methyl-5-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzoic acid
CID 139811392
2-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)-5-methoxybenzoic acid
CID 139811436
3-[[4-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)phenyl]sulfonylamino]propyl-trimethylazanium iodide
CID 138394923

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene?
The IUPAC name of 1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene (CID 88657051) is 1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene.
What is the SMILES notation for 1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene?
The canonical SMILES for 1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene is C=Cc1ccc(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene?
The InChIKey is BJERRCKLKRIISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F11O/c1-2-7-3-5-8(6-4-7)26-10(16)9(15)11(17,18)12(19,20)13(21,22)14(23,24)25/h2-6H,1H2.
What are the key properties of 1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene?
1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene has a molecular weight of 400.19 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzene is sourced from PubChem (CID 88657051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).