(4-ethoxy-2,3-difluorophenoxy)-oxoborane

C8H7BF2O3 — CID 139945985

IUPAC(4-ethoxy-2,3-difluorophenoxy)-oxoborane
SMILESCCOc1ccc(OB=O)c(F)c1F
InChIInChI=1S/C8H7BF2O3/c1-2-13-5-3-4-6(14-9-12)8(11)7(5)10/h3-4H,2H2,1H3
InChIKeyKDAQRYLKAUDPDX-UHFFFAOYSA-N
MW199.95 g/mol
LogP1.71
Rot. Bonds4

About (4-ethoxy-2,3-difluorophenoxy)-oxoborane

(4-ethoxy-2,3-difluorophenoxy)-oxoborane (PubChem CID 139945985) has the molecular formula C8H7BF2O3 and a molecular weight of 199.95 g/mol. Its IUPAC name is (4-ethoxy-2,3-difluorophenoxy)-oxoborane.

Molecular Properties

Compound Name(4-ethoxy-2,3-difluorophenoxy)-oxoborane
PubChem CID139945985
Molecular FormulaC8H7BF2O3
Molecular Weight199.95 g/mol
Exact Mass200.05
IUPAC Name(4-ethoxy-2,3-difluorophenoxy)-oxoborane
SMILESCCOc1ccc(OB=O)c(F)c1F
InChIInChI=1S/C8H7BF2O3/c1-2-13-5-3-4-6(14-9-12)8(11)7(5)10/h3-4H,2H2,1H3
InChIKeyKDAQRYLKAUDPDX-UHFFFAOYSA-N
XLogP1.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.95
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene
CID 58402522
(4-ethoxy-2,3-difluorophenyl)-trimethylsilane
CID 15751975
(3,6-diethoxy-2-fluorophenyl)methanol
CID 164895475
(E)-3-(4-ethoxy-2,3-difluorophenyl)prop-2-enoic acid
CID 46737624
2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid
CID 117331897
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
1-ethoxy-2-fluoro-4-iodo-3-methylbenzene
CID 164891728
1-chloro-4-ethoxy-3-fluoro-2-iodobenzene
CID 164894138
1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
CID 130752787
1-ethoxy-2,3-difluoro-4-(isocyanatomethyl)benzene
CID 117303522

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2,3-difluorophenoxy)-oxoborane?
The IUPAC name of (4-ethoxy-2,3-difluorophenoxy)-oxoborane (CID 139945985) is (4-ethoxy-2,3-difluorophenoxy)-oxoborane.
What is the SMILES notation for (4-ethoxy-2,3-difluorophenoxy)-oxoborane?
The canonical SMILES for (4-ethoxy-2,3-difluorophenoxy)-oxoborane is CCOc1ccc(OB=O)c(F)c1F.
What is the InChIKey of (4-ethoxy-2,3-difluorophenoxy)-oxoborane?
The InChIKey is KDAQRYLKAUDPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BF2O3/c1-2-13-5-3-4-6(14-9-12)8(11)7(5)10/h3-4H,2H2,1H3.
What are the key properties of (4-ethoxy-2,3-difluorophenoxy)-oxoborane?
(4-ethoxy-2,3-difluorophenoxy)-oxoborane has a molecular weight of 199.95 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2,3-difluorophenoxy)-oxoborane is sourced from PubChem (CID 139945985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).