(2-chloro-6-methoxyphenyl)-trifluoroboranuide

C7H6BClF3O- — CID 122199615

IUPAC(2-chloro-6-methoxyphenyl)-trifluoroboranuide
SMILESCOc1cccc(Cl)c1[B-](F)(F)F
InChIInChI=1S/C7H6BClF3O/c1-13-6-4-2-3-5(9)7(6)8(10,11)12/h2-4H,1H3/q-1
InChIKeyYXQCLATWNSXHJD-UHFFFAOYSA-N
MW209.38 g/mol
LogP2.40
Rot. Bonds2

About (2-chloro-6-methoxyphenyl)-trifluoroboranuide

(2-chloro-6-methoxyphenyl)-trifluoroboranuide (PubChem CID 122199615) has the molecular formula C7H6BClF3O- and a molecular weight of 209.38 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-trifluoroboranuide.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-trifluoroboranuide
PubChem CID122199615
Molecular FormulaC7H6BClF3O-
Molecular Weight209.38 g/mol
Exact Mass209.02
IUPAC Name(2-chloro-6-methoxyphenyl)-trifluoroboranuide
SMILESCOc1cccc(Cl)c1[B-](F)(F)F
InChIInChI=1S/C7H6BClF3O/c1-13-6-4-2-3-5(9)7(6)8(10,11)12/h2-4H,1H3/q-1
InChIKeyYXQCLATWNSXHJD-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

trifluoro-(2-fluoro-6-methoxyphenyl)boranuide
CID 87620757
potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide
CID 87620756
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
1-chloro-2-methoxybenzene
CID 13011
2-chloro-6-methoxybenzenethiol
CID 91874124
potassium (2-chloro-6-hydroxyphenyl)-trifluoroboranuide
CID 156678407
2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline
CID 116688655
trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677245
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
potassium trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677244
1-chloro-2-isocyano-3-methoxybenzene
CID 23553774

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-trifluoroboranuide?
The IUPAC name of (2-chloro-6-methoxyphenyl)-trifluoroboranuide (CID 122199615) is (2-chloro-6-methoxyphenyl)-trifluoroboranuide.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-trifluoroboranuide?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-trifluoroboranuide is COc1cccc(Cl)c1[B-](F)(F)F.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-trifluoroboranuide?
The InChIKey is YXQCLATWNSXHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BClF3O/c1-13-6-4-2-3-5(9)7(6)8(10,11)12/h2-4H,1H3/q-1.
What are the key properties of (2-chloro-6-methoxyphenyl)-trifluoroboranuide?
(2-chloro-6-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-6-methoxyphenyl)-trifluoroboranuide is sourced from PubChem (CID 122199615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).