(2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide

C8H8BClF3O2- — CID 167721769

IUPAC(2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide
SMILESCOc1cc(OC)c(Cl)c([B-](F)(F)F)c1
InChIInChI=1S/C8H8BClF3O2/c1-14-5-3-6(9(11,12)13)8(10)7(4-5)15-2/h3-4H,1-2H3/q-1
InChIKeyABXJYVXYWYXHSB-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.41
Rot. Bonds3

About (2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide

(2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide (PubChem CID 167721769) has the molecular formula C8H8BClF3O2- and a molecular weight of 239.41 g/mol. Its IUPAC name is (2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide.

Molecular Properties

Compound Name(2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide
PubChem CID167721769
Molecular FormulaC8H8BClF3O2-
Molecular Weight239.41 g/mol
Exact Mass239.03
IUPAC Name(2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide
SMILESCOc1cc(OC)c(Cl)c([B-](F)(F)F)c1
InChIInChI=1S/C8H8BClF3O2/c1-14-5-3-6(9(11,12)13)8(10)7(4-5)15-2/h3-4H,1-2H3/q-1
InChIKeyABXJYVXYWYXHSB-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-5-methoxyphenyl)-trifluoroboranuide
CID 63675456
(3-chloro-5-methoxyphenyl)-trifluoroboranuide
CID 75487777
chloro-tris(2,4,6-trimethoxyphenyl)silane
CID 88962916
potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide
CID 113443488
2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
CID 116841570
chloro-(2,4,6-trimethoxyphenyl)phosphane
CID 151134110
trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide
CID 104706273
1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide
CID 63675286
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
CID 102431568
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
1,2,3,4-tetrachloro-5-methoxybenzene
CID 13649

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide?
The IUPAC name of (2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide (CID 167721769) is (2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide.
What is the SMILES notation for (2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide?
The canonical SMILES for (2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide is COc1cc(OC)c(Cl)c([B-](F)(F)F)c1.
What is the InChIKey of (2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide?
The InChIKey is ABXJYVXYWYXHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BClF3O2/c1-14-5-3-6(9(11,12)13)8(10)7(4-5)15-2/h3-4H,1-2H3/q-1.
What are the key properties of (2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide?
(2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide has a molecular weight of 239.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide is sourced from PubChem (CID 167721769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).