trifluoro(2-phenylmethoxypropan-2-yl)boranuide

C10H13BF3O- — CID 153353035

IUPACtrifluoro(2-phenylmethoxypropan-2-yl)boranuide
SMILESCC(C)(OCc1ccccc1)[B-](F)(F)F
InChIInChI=1S/C10H13BF3O/c1-10(2,11(12,13)14)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/q-1
InChIKeyQFUNQHPJKPVCOW-UHFFFAOYSA-N
MW217.02 g/mol
LogP3.37
Rot. Bonds4

About trifluoro(2-phenylmethoxypropan-2-yl)boranuide

trifluoro(2-phenylmethoxypropan-2-yl)boranuide (PubChem CID 153353035) has the molecular formula C10H13BF3O- and a molecular weight of 217.02 g/mol. Its IUPAC name is trifluoro(2-phenylmethoxypropan-2-yl)boranuide.

Molecular Properties

Compound Nametrifluoro(2-phenylmethoxypropan-2-yl)boranuide
PubChem CID153353035
Molecular FormulaC10H13BF3O-
Molecular Weight217.02 g/mol
Exact Mass217.10
IUPAC Nametrifluoro(2-phenylmethoxypropan-2-yl)boranuide
SMILESCC(C)(OCc1ccccc1)[B-](F)(F)F
InChIInChI=1S/C10H13BF3O/c1-10(2,11(12,13)14)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/q-1
InChIKeyQFUNQHPJKPVCOW-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
(2S)-3,3,3-trifluoro-2-methyl-2-phenylmethoxypropanal
CID 15852818
N-methyl-2-phenylmethoxypropan-2-amine
CID 144538471
2-methylhexan-2-yloxymethylbenzene
CID 134222440
1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol
CID 14003290
4-methylheptan-4-yloxymethylbenzene
CID 20782055
ethane;2,4,4-trimethylpentan-2-yloxymethylbenzene
CID 158923607
1,1-difluorohexoxymethylbenzene
CID 67797942
[dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene
CID 158709206

Frequently Asked Questions

What is the IUPAC name of trifluoro(2-phenylmethoxypropan-2-yl)boranuide?
The IUPAC name of trifluoro(2-phenylmethoxypropan-2-yl)boranuide (CID 153353035) is trifluoro(2-phenylmethoxypropan-2-yl)boranuide.
What is the SMILES notation for trifluoro(2-phenylmethoxypropan-2-yl)boranuide?
The canonical SMILES for trifluoro(2-phenylmethoxypropan-2-yl)boranuide is CC(C)(OCc1ccccc1)[B-](F)(F)F.
What is the InChIKey of trifluoro(2-phenylmethoxypropan-2-yl)boranuide?
The InChIKey is QFUNQHPJKPVCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BF3O/c1-10(2,11(12,13)14)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/q-1.
What are the key properties of trifluoro(2-phenylmethoxypropan-2-yl)boranuide?
trifluoro(2-phenylmethoxypropan-2-yl)boranuide has a molecular weight of 217.02 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(2-phenylmethoxypropan-2-yl)boranuide is sourced from PubChem (CID 153353035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).