(2-chloro-5-methoxyphenyl)-trifluoroboranuide

C7H6BClF3O- — CID 63675456

IUPAC(2-chloro-5-methoxyphenyl)-trifluoroboranuide
SMILESCOc1ccc(Cl)c([B-](F)(F)F)c1
InChIInChI=1S/C7H6BClF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3/q-1
InChIKeyUAQSBMFKHHVEON-UHFFFAOYSA-N
MW209.38 g/mol
LogP2.40
Rot. Bonds2

About (2-chloro-5-methoxyphenyl)-trifluoroboranuide

(2-chloro-5-methoxyphenyl)-trifluoroboranuide (PubChem CID 63675456) has the molecular formula C7H6BClF3O- and a molecular weight of 209.38 g/mol. Its IUPAC name is (2-chloro-5-methoxyphenyl)-trifluoroboranuide.

Molecular Properties

Compound Name(2-chloro-5-methoxyphenyl)-trifluoroboranuide
PubChem CID63675456
Molecular FormulaC7H6BClF3O-
Molecular Weight209.38 g/mol
Exact Mass209.02
IUPAC Name(2-chloro-5-methoxyphenyl)-trifluoroboranuide
SMILESCOc1ccc(Cl)c([B-](F)(F)F)c1
InChIInChI=1S/C7H6BClF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3/q-1
InChIKeyUAQSBMFKHHVEON-UHFFFAOYSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 52.40
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

(2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide
CID 167721769
trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide
CID 104706273
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
2-bromo-1-(2-chloro-5-methoxyphenyl)-2,2-difluoroethanone
CID 130136738
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
CID 117305828
(1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride
CID 88769229
[2-[3-(dimethylamino)propoxy]-5-methoxyphenyl]-trifluoroboranuide
CID 114525803
potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide
CID 113443488
1-(2-chloro-5-methoxyphenyl)prop-2-en-1-one
CID 130136741
potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide
CID 104706192
potassium trifluoro-[5-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 104706270

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methoxyphenyl)-trifluoroboranuide?
The IUPAC name of (2-chloro-5-methoxyphenyl)-trifluoroboranuide (CID 63675456) is (2-chloro-5-methoxyphenyl)-trifluoroboranuide.
What is the SMILES notation for (2-chloro-5-methoxyphenyl)-trifluoroboranuide?
The canonical SMILES for (2-chloro-5-methoxyphenyl)-trifluoroboranuide is COc1ccc(Cl)c([B-](F)(F)F)c1.
What is the InChIKey of (2-chloro-5-methoxyphenyl)-trifluoroboranuide?
The InChIKey is UAQSBMFKHHVEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BClF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3/q-1.
What are the key properties of (2-chloro-5-methoxyphenyl)-trifluoroboranuide?
(2-chloro-5-methoxyphenyl)-trifluoroboranuide has a molecular weight of 209.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methoxyphenyl)-trifluoroboranuide is sourced from PubChem (CID 63675456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).