trifluoro-(2-propan-2-yloxyphenyl)boranuide

C9H11BF3O- — CID 63677239

IUPACtrifluoro-(2-propan-2-yloxyphenyl)boranuide
SMILESCC(C)Oc1ccccc1[B-](F)(F)F
InChIInChI=1S/C9H11BF3O/c1-7(2)14-9-6-4-3-5-8(9)10(11,12)13/h3-7H,1-2H3/q-1
InChIKeyXHPGHMYQEABQDN-UHFFFAOYSA-N
MW202.99 g/mol
LogP2.53
Rot. Bonds3

About trifluoro-(2-propan-2-yloxyphenyl)boranuide

trifluoro-(2-propan-2-yloxyphenyl)boranuide (PubChem CID 63677239) has the molecular formula C9H11BF3O- and a molecular weight of 202.99 g/mol. Its IUPAC name is trifluoro-(2-propan-2-yloxyphenyl)boranuide.

Molecular Properties

Compound Nametrifluoro-(2-propan-2-yloxyphenyl)boranuide
PubChem CID63677239
Molecular FormulaC9H11BF3O-
Molecular Weight202.99 g/mol
Exact Mass203.09
IUPAC Nametrifluoro-(2-propan-2-yloxyphenyl)boranuide
SMILESCC(C)Oc1ccccc1[B-](F)(F)F
InChIInChI=1S/C9H11BF3O/c1-7(2)14-9-6-4-3-5-8(9)10(11,12)13/h3-7H,1-2H3/q-1
InChIKeyXHPGHMYQEABQDN-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.99
LogP ≤ 52.53
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

potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide
CID 63677238
trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
CID 63677449
potassium trifluoro-[2-(4-methylpentoxy)phenyl]boranuide
CID 83158350
tris(2-propan-2-yloxyphenyl)borane
CID 5017314
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
2-propan-2-yloxyaniline;hydrochloride
CID 24779669
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-bromo-1,3-di(propan-2-yloxy)benzene
CID 102493711
trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide
CID 65202687
1-methyl-2-propan-2-yloxybenzene;trichlororuthenium
CID 175208112

Frequently Asked Questions

What is the IUPAC name of trifluoro-(2-propan-2-yloxyphenyl)boranuide?
The IUPAC name of trifluoro-(2-propan-2-yloxyphenyl)boranuide (CID 63677239) is trifluoro-(2-propan-2-yloxyphenyl)boranuide.
What is the SMILES notation for trifluoro-(2-propan-2-yloxyphenyl)boranuide?
The canonical SMILES for trifluoro-(2-propan-2-yloxyphenyl)boranuide is CC(C)Oc1ccccc1[B-](F)(F)F.
What is the InChIKey of trifluoro-(2-propan-2-yloxyphenyl)boranuide?
The InChIKey is XHPGHMYQEABQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BF3O/c1-7(2)14-9-6-4-3-5-8(9)10(11,12)13/h3-7H,1-2H3/q-1.
What are the key properties of trifluoro-(2-propan-2-yloxyphenyl)boranuide?
trifluoro-(2-propan-2-yloxyphenyl)boranuide has a molecular weight of 202.99 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2-propan-2-yloxyphenyl)boranuide is sourced from PubChem (CID 63677239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).