trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide

C11H14BF4O2- — CID 114675006

IUPACtrifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide
SMILESCC(C)OCCOc1cc([B-](F)(F)F)ccc1F
InChIInChI=1S/C11H14BF4O2/c1-8(2)17-5-6-18-11-7-9(12(14,15)16)3-4-10(11)13/h3-4,7-8H,5-6H2,1-2H3/q-1
InChIKeyZBFGODLZVSDBSU-UHFFFAOYSA-N
MW265.03 g/mol
LogP2.68
Rot. Bonds6

About trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide

trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide (PubChem CID 114675006) has the molecular formula C11H14BF4O2- and a molecular weight of 265.03 g/mol. Its IUPAC name is trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide
PubChem CID114675006
Molecular FormulaC11H14BF4O2-
Molecular Weight265.03 g/mol
Exact Mass265.10
IUPAC Nametrifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide
SMILESCC(C)OCCOc1cc([B-](F)(F)F)ccc1F
InChIInChI=1S/C11H14BF4O2/c1-8(2)17-5-6-18-11-7-9(12(14,15)16)3-4-10(11)13/h3-4,7-8H,5-6H2,1-2H3/q-1
InChIKeyZBFGODLZVSDBSU-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide
CID 114674955
potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114675089
trifluoro-(4-fluoro-3-methoxyphenyl)boranuide
CID 112694622
trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 114674892
potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide
CID 106439057
potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide
CID 114674917
4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene
CID 168968780
potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide
CID 114675043
N-[2-(2-fluoro-5-methylphenoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 64855858
potassium trifluoro-[4-fluoro-3-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 114675053
potassium trifluoro-[4-fluoro-3-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705337
potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114674983

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide (CID 114675006) is trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide is CC(C)OCCOc1cc([B-](F)(F)F)ccc1F.
What is the InChIKey of trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide?
The InChIKey is ZBFGODLZVSDBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BF4O2/c1-8(2)17-5-6-18-11-7-9(12(14,15)16)3-4-10(11)13/h3-4,7-8H,5-6H2,1-2H3/q-1.
What are the key properties of trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide?
trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide has a molecular weight of 265.03 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide is sourced from PubChem (CID 114675006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).