1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid

C10H2BF19O2 — CID 175476066

IUPAC1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid
SMILESOB(O)C(F)=C(F)C(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/C10H2BF19O2/c12-1(2(13)11(31)32)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)30/h31-32H
InChIKeyZDKKGVHYOAQWRA-UHFFFAOYSA-N
MW525.90 g/mol
LogP5.16
Rot. Bonds8

About 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid

1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid (PubChem CID 175476066) has the molecular formula C10H2BF19O2 and a molecular weight of 525.90 g/mol. Its IUPAC name is 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid.

Molecular Properties

Compound Name1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid
PubChem CID175476066
Molecular FormulaC10H2BF19O2
Molecular Weight525.90 g/mol
Exact Mass525.98
IUPAC Name1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid
SMILESOB(O)C(F)=C(F)C(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/C10H2BF19O2/c12-1(2(13)11(31)32)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)30/h31-32H
InChIKeyZDKKGVHYOAQWRA-UHFFFAOYSA-N
XLogP5.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.90
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
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2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-dotriacontafluoroheptadec-1-ene
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2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodec-1-ene
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(Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene
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1,1,2,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(1,1,2,3,4,4,5,5,6,6,7,7,7-tridecafluorohept-2-enoxy)hept-2-ene
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid?
The IUPAC name of 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid (CID 175476066) is 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid.
What is the SMILES notation for 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid?
The canonical SMILES for 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid is OB(O)C(F)=C(F)C(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 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid?
The InChIKey is ZDKKGVHYOAQWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2BF19O2/c12-1(2(13)11(31)32)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)30/h31-32H.
What are the key properties of 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid?
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid has a molecular weight of 525.90 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid is sourced from PubChem (CID 175476066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).