trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide

C12H16BF4O- — CID 63703027

IUPACtrifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
SMILESCCCCCCOc1ccc(F)cc1[B-](F)(F)F
InChIInChI=1S/C12H16BF4O/c1-2-3-4-5-8-18-12-7-6-10(14)9-11(12)13(15,16)17/h6-7,9H,2-5,8H2,1H3/q-1
InChIKeyJOCJNJOOYYSPFU-UHFFFAOYSA-N
MW263.06 g/mol
LogP3.84
Rot. Bonds7

About trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide

trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide (PubChem CID 63703027) has the molecular formula C12H16BF4O- and a molecular weight of 263.06 g/mol. Its IUPAC name is trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide.

Molecular Properties

Compound Nametrifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
PubChem CID63703027
Molecular FormulaC12H16BF4O-
Molecular Weight263.06 g/mol
Exact Mass263.12
IUPAC Nametrifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
SMILESCCCCCCOc1ccc(F)cc1[B-](F)(F)F
InChIInChI=1S/C12H16BF4O/c1-2-3-4-5-8-18-12-7-6-10(14)9-11(12)13(15,16)17/h6-7,9H,2-5,8H2,1H3/q-1
InChIKeyJOCJNJOOYYSPFU-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 53.84
H-Bond Donors ≤ 50
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

trifluoro-[5-fluoro-2-(4-methoxybutoxy)phenyl]boranuide
CID 104648215
potassium trifluoro-(2-octoxyphenyl)boranuide
CID 63676201
potassium trifluoro-[5-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 115514504
1,4-difluoro-2-hexoxybenzene
CID 23437312
potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide
CID 114472982
5-fluoro-2-nonoxybenzoic acid
CID 115297915
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide
CID 113233035
4-fluoro-2-octoxyaniline
CID 43128998
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
1,4,5,8-tetrahexoxyanthracene
CID 101142141

Frequently Asked Questions

What is the IUPAC name of trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide?
The IUPAC name of trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide (CID 63703027) is trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide.
What is the SMILES notation for trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide?
The canonical SMILES for trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide is CCCCCCOc1ccc(F)cc1[B-](F)(F)F.
What is the InChIKey of trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide?
The InChIKey is JOCJNJOOYYSPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BF4O/c1-2-3-4-5-8-18-12-7-6-10(14)9-11(12)13(15,16)17/h6-7,9H,2-5,8H2,1H3/q-1.
What are the key properties of trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide?
trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide has a molecular weight of 263.06 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide is sourced from PubChem (CID 63703027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).