12,12,12-trifluorododecoxyboronic acid

C12H24BF3O3 — CID 150599191

IUPAC12,12,12-trifluorododecoxyboronic acid
SMILESOB(O)OCCCCCCCCCCCC(F)(F)F
InChIInChI=1S/C12H24BF3O3/c14-12(15,16)10-8-6-4-2-1-3-5-7-9-11-19-13(17)18/h17-18H,1-11H2
InChIKeyMKWJFPICXZXVCI-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.44
Rot. Bonds12

About 12,12,12-trifluorododecoxyboronic acid

12,12,12-trifluorododecoxyboronic acid (PubChem CID 150599191) has the molecular formula C12H24BF3O3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 12,12,12-trifluorododecoxyboronic acid.

Molecular Properties

Compound Name12,12,12-trifluorododecoxyboronic acid
PubChem CID150599191
Molecular FormulaC12H24BF3O3
Molecular Weight284.13 g/mol
Exact Mass284.18
IUPAC Name12,12,12-trifluorododecoxyboronic acid
SMILESOB(O)OCCCCCCCCCCCC(F)(F)F
InChIInChI=1S/C12H24BF3O3/c14-12(15,16)10-8-6-4-2-1-3-5-7-9-11-19-13(17)18/h17-18H,1-11H2
InChIKeyMKWJFPICXZXVCI-UHFFFAOYSA-N
XLogP3.44
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10,10-dimethylundecoxyboronic acid
CID 150810313
nonadecoxyboronic acid
CID 154133434
bis(6,6,6-trifluorohexyl) carbonate
CID 175170485
3-(17,17,17-trifluoroheptadecoxy)propan-1-ol
CID 162744639
9-(4,4,4-trifluorobutoxy)nonan-1-ol
CID 22407961
copper;hexoxyboronic acid
CID 174901938
azane;hexoxyboronic acid
CID 174594578
6,6,6-trifluorohexyl dihydrogen phosphate
CID 87919212
6,6-dihydroxyhexoxyboronic acid
CID 87179416
6,6,6-tris(4-chlorophenyl)hexoxyboronic acid
CID 172634152
tridecoxyboronic acid;tridodecyl borate
CID 174050200
1,1,6,6,6-pentafluorohexan-1-ol
CID 143019426

Frequently Asked Questions

What is the IUPAC name of 12,12,12-trifluorododecoxyboronic acid?
The IUPAC name of 12,12,12-trifluorododecoxyboronic acid (CID 150599191) is 12,12,12-trifluorododecoxyboronic acid.
What is the SMILES notation for 12,12,12-trifluorododecoxyboronic acid?
The canonical SMILES for 12,12,12-trifluorododecoxyboronic acid is OB(O)OCCCCCCCCCCCC(F)(F)F.
What is the InChIKey of 12,12,12-trifluorododecoxyboronic acid?
The InChIKey is MKWJFPICXZXVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BF3O3/c14-12(15,16)10-8-6-4-2-1-3-5-7-9-11-19-13(17)18/h17-18H,1-11H2.
What are the key properties of 12,12,12-trifluorododecoxyboronic acid?
12,12,12-trifluorododecoxyboronic acid has a molecular weight of 284.13 g/mol, XLogP of 3.44, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,12-trifluorododecoxyboronic acid is sourced from PubChem (CID 150599191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).