trifluoro-[(3-phenoxyphenoxy)methyl]boranuide

C13H11BF3O2- — CID 63702596

IUPACtrifluoro-[(3-phenoxyphenoxy)methyl]boranuide
SMILESF[B-](F)(F)COc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H11BF3O2/c15-14(16,17)10-18-12-7-4-8-13(9-12)19-11-5-2-1-3-6-11/h1-9H,10H2/q-1
InChIKeyBOHIJZRHTGGZJH-UHFFFAOYSA-N
MW267.04 g/mol
LogP4.24
Rot. Bonds5

About trifluoro-[(3-phenoxyphenoxy)methyl]boranuide

trifluoro-[(3-phenoxyphenoxy)methyl]boranuide (PubChem CID 63702596) has the molecular formula C13H11BF3O2- and a molecular weight of 267.04 g/mol. Its IUPAC name is trifluoro-[(3-phenoxyphenoxy)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(3-phenoxyphenoxy)methyl]boranuide
PubChem CID63702596
Molecular FormulaC13H11BF3O2-
Molecular Weight267.04 g/mol
Exact Mass267.08
IUPAC Nametrifluoro-[(3-phenoxyphenoxy)methyl]boranuide
SMILESF[B-](F)(F)COc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H11BF3O2/c15-14(16,17)10-18-12-7-4-8-13(9-12)19-11-5-2-1-3-6-11/h1-9H,10H2/q-1
InChIKeyBOHIJZRHTGGZJH-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.04
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
potassium (3-ethylphenoxy)methyl-trifluoroboranuide
CID 63703906
potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide
CID 63705482
2-(3-phenoxyphenoxy)acetate
CID 22411603
methyl-[2-(3-phenoxyphenoxy)ethyl]azanium
CID 2199745
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
CID 163958367
CID 163958367
trifluoro-[(4-phenoxyphenyl)methyl]boranuide
CID 171374152
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
1-amino-3-(3-phenoxyphenoxy)propan-2-ol
CID 18593122
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(3-phenoxyphenoxy)methyl]boranuide?
The IUPAC name of trifluoro-[(3-phenoxyphenoxy)methyl]boranuide (CID 63702596) is trifluoro-[(3-phenoxyphenoxy)methyl]boranuide.
What is the SMILES notation for trifluoro-[(3-phenoxyphenoxy)methyl]boranuide?
The canonical SMILES for trifluoro-[(3-phenoxyphenoxy)methyl]boranuide is F[B-](F)(F)COc1cccc(Oc2ccccc2)c1.
What is the InChIKey of trifluoro-[(3-phenoxyphenoxy)methyl]boranuide?
The InChIKey is BOHIJZRHTGGZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF3O2/c15-14(16,17)10-18-12-7-4-8-13(9-12)19-11-5-2-1-3-6-11/h1-9H,10H2/q-1.
What are the key properties of trifluoro-[(3-phenoxyphenoxy)methyl]boranuide?
trifluoro-[(3-phenoxyphenoxy)methyl]boranuide has a molecular weight of 267.04 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(3-phenoxyphenoxy)methyl]boranuide is sourced from PubChem (CID 63702596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).