[2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide

C7H3BClF6O- — CID 167717521

IUPAC[2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1cc(OC(F)(F)F)ccc1Cl
InChIInChI=1S/C7H3BClF6O/c9-6-2-1-4(16-7(10,11)12)3-5(6)8(13,14)15/h1-3H/q-1
InChIKeyGWQVDNJBXNEWEU-UHFFFAOYSA-N
MW263.35 g/mol
LogP3.29
Rot. Bonds2

About [2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide

[2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide (PubChem CID 167717521) has the molecular formula C7H3BClF6O- and a molecular weight of 263.35 g/mol. Its IUPAC name is [2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide.

Molecular Properties

Compound Name[2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide
PubChem CID167717521
Molecular FormulaC7H3BClF6O-
Molecular Weight263.35 g/mol
Exact Mass262.99
IUPAC Name[2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1cc(OC(F)(F)F)ccc1Cl
InChIInChI=1S/C7H3BClF6O/c9-6-2-1-4(16-7(10,11)12)3-5(6)8(13,14)15/h1-3H/q-1
InChIKeyGWQVDNJBXNEWEU-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 53.29
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-5-methoxyphenyl)-trifluoroboranuide
CID 63675456
2-chloro-5-(trifluoromethoxy)benzenethiol
CID 170997751
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119003676
1-chloro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 170998677
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 146009854
2-bromo-1-[2-chloro-5-(trifluoromethoxy)phenyl]ethanone
CID 171028846
1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119016186
2-bromo-1-[2-chloro-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134619078
1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene
CID 134622938

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide?
The IUPAC name of [2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide (CID 167717521) is [2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide.
What is the SMILES notation for [2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide?
The canonical SMILES for [2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide is F[B-](F)(F)c1cc(OC(F)(F)F)ccc1Cl.
What is the InChIKey of [2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide?
The InChIKey is GWQVDNJBXNEWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BClF6O/c9-6-2-1-4(16-7(10,11)12)3-5(6)8(13,14)15/h1-3H/q-1.
What are the key properties of [2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide?
[2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide has a molecular weight of 263.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide is sourced from PubChem (CID 167717521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).