10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane

C14H11F17O — CID 126634355

IUPAC10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
SMILESC/C=C(\C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H11F17O/c1-3-6(2)32-5-4-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3H,4-5H2,1-2H3/b6-3+
InChIKeyGIHNCCFIKHHNLV-ZZXKWVIFSA-N
MW518.21 g/mol
LogP7.33
Rot. Bonds10

About 10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane

10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane (PubChem CID 126634355) has the molecular formula C14H11F17O and a molecular weight of 518.21 g/mol. Its IUPAC name is 10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane.

Molecular Properties

Compound Name10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
PubChem CID126634355
Molecular FormulaC14H11F17O
Molecular Weight518.21 g/mol
Exact Mass518.05
IUPAC Name10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
SMILESC/C=C(\C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H11F17O/c1-3-6(2)32-5-4-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3H,4-5H2,1-2H3/b6-3+
InChIKeyGIHNCCFIKHHNLV-ZZXKWVIFSA-N
XLogP7.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.21
LogP ≤ 57.33
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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Frequently Asked Questions

What is the IUPAC name of 10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
The IUPAC name of 10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane (CID 126634355) is 10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane.
What is the SMILES notation for 10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
The canonical SMILES for 10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane is C/C=C(\C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
The InChIKey is GIHNCCFIKHHNLV-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H11F17O/c1-3-6(2)32-5-4-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3H,4-5H2,1-2H3/b6-3+.
What are the key properties of 10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane has a molecular weight of 518.21 g/mol, XLogP of 7.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane is sourced from PubChem (CID 126634355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).