trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide

C12H23BF3O- — CID 11851403

IUPACtrifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide
SMILESCC(O)CCCCCCCC/C=C/[B-](F)(F)F
InChIInChI=1S/C12H23BF3O/c1-12(17)10-8-6-4-2-3-5-7-9-11-13(14,15)16/h9,11-12,17H,2-8,10H2,1H3/q-1/b11-9+
InChIKeyPQBNRVZFIMORND-PKNBQFBNSA-N
MW251.12 g/mol
LogP4.43
Rot. Bonds10

About trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide

trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide (PubChem CID 11851403) has the molecular formula C12H23BF3O- and a molecular weight of 251.12 g/mol. Its IUPAC name is trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide
PubChem CID11851403
Molecular FormulaC12H23BF3O-
Molecular Weight251.12 g/mol
Exact Mass251.18
IUPAC Nametrifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide
SMILESCC(O)CCCCCCCC/C=C/[B-](F)(F)F
InChIInChI=1S/C12H23BF3O/c1-12(17)10-8-6-4-2-3-5-7-9-11-13(14,15)16/h9,11-12,17H,2-8,10H2,1H3/q-1/b11-9+
InChIKeyPQBNRVZFIMORND-PKNBQFBNSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

dec-3-ene-2,9-diol
CID 57127068
(Z)-henicos-12-en-2-ol
CID 141141779
(E)-undec-8-en-2-ol
CID 118316981
heptadec-9-en-2-ol
CID 54154410
(E)-tridec-8-en-2-ol
CID 173250287
icos-9-en-2-ol
CID 91416664
(E)-non-7-en-2-ol
CID 14615052
(E,2R)-dec-7-en-2-ol
CID 89151124
(Z)-tridec-7-en-2-ol
CID 89138962
(E,10R)-10-hydroxyundec-2-enoic acid
CID 139031700
11-methyldodec-7-ene-2,9-diol
CID 123206187
(E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol
CID 87606544

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide?
The IUPAC name of trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide (CID 11851403) is trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide.
What is the SMILES notation for trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide?
The canonical SMILES for trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide is CC(O)CCCCCCCC/C=C/[B-](F)(F)F.
What is the InChIKey of trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide?
The InChIKey is PQBNRVZFIMORND-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H23BF3O/c1-12(17)10-8-6-4-2-3-5-7-9-11-13(14,15)16/h9,11-12,17H,2-8,10H2,1H3/q-1/b11-9+.
What are the key properties of trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide?
trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide has a molecular weight of 251.12 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide is sourced from PubChem (CID 11851403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).