(2,4-difluorophenoxy)methyl-trifluoroboranuide

C7H5BF5O- — CID 63702065

IUPAC(2,4-difluorophenoxy)methyl-trifluoroboranuide
SMILESFc1ccc(OC[B-](F)(F)F)c(F)c1
InChIInChI=1S/C7H5BF5O/c9-5-1-2-7(6(10)3-5)14-4-8(11,12)13/h1-3H,4H2/q-1
InChIKeyHASLIZFDABPFJK-UHFFFAOYSA-N
MW210.92 g/mol
LogP2.73
Rot. Bonds3

About (2,4-difluorophenoxy)methyl-trifluoroboranuide

(2,4-difluorophenoxy)methyl-trifluoroboranuide (PubChem CID 63702065) has the molecular formula C7H5BF5O- and a molecular weight of 210.92 g/mol. Its IUPAC name is (2,4-difluorophenoxy)methyl-trifluoroboranuide.

Molecular Properties

Compound Name(2,4-difluorophenoxy)methyl-trifluoroboranuide
PubChem CID63702065
Molecular FormulaC7H5BF5O-
Molecular Weight210.92 g/mol
Exact Mass211.04
IUPAC Name(2,4-difluorophenoxy)methyl-trifluoroboranuide
SMILESFc1ccc(OC[B-](F)(F)F)c(F)c1
InChIInChI=1S/C7H5BF5O/c9-5-1-2-7(6(10)3-5)14-4-8(11,12)13/h1-3H,4H2/q-1
InChIKeyHASLIZFDABPFJK-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.92
LogP ≤ 52.73
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-fluoro-4-formylphenoxy)methyl]boranuide
CID 107693734
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
CID 89282398
CID 89282398
2-(2,4-difluorophenoxy)ethanethiol
CID 79002379
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene
CID 130313798
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 107908427
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine
CID 82126938

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenoxy)methyl-trifluoroboranuide?
The IUPAC name of (2,4-difluorophenoxy)methyl-trifluoroboranuide (CID 63702065) is (2,4-difluorophenoxy)methyl-trifluoroboranuide.
What is the SMILES notation for (2,4-difluorophenoxy)methyl-trifluoroboranuide?
The canonical SMILES for (2,4-difluorophenoxy)methyl-trifluoroboranuide is Fc1ccc(OC[B-](F)(F)F)c(F)c1.
What is the InChIKey of (2,4-difluorophenoxy)methyl-trifluoroboranuide?
The InChIKey is HASLIZFDABPFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF5O/c9-5-1-2-7(6(10)3-5)14-4-8(11,12)13/h1-3H,4H2/q-1.
What are the key properties of (2,4-difluorophenoxy)methyl-trifluoroboranuide?
(2,4-difluorophenoxy)methyl-trifluoroboranuide has a molecular weight of 210.92 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenoxy)methyl-trifluoroboranuide is sourced from PubChem (CID 63702065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).