[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide

C7H5BCl2F3- — CID 172878584

IUPAC[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
SMILES[BH3-]c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H5BCl2F3/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H,8H3/q-1
InChIKeyCXWSOZNPCSOLRY-UHFFFAOYSA-N
MW227.83 g/mol
LogP2.00
Rot. Bonds

About [2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide

[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide (PubChem CID 172878584) has the molecular formula C7H5BCl2F3- and a molecular weight of 227.83 g/mol. Its IUPAC name is [2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide.

Molecular Properties

Compound Name[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
PubChem CID172878584
Molecular FormulaC7H5BCl2F3-
Molecular Weight227.83 g/mol
Exact Mass226.98
IUPAC Name[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
SMILES[BH3-]c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H5BCl2F3/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H,8H3/q-1
InChIKeyCXWSOZNPCSOLRY-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.83
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
[2,6-dichloro-4-(trifluoromethyl)phenyl]-trimethylsilane
CID 11514753
2-chloro-4,6-bis(trifluoromethyl)aniline
CID 21396780
1,2,3-trichloro-5-(trifluoromethyl)benzene;1,2,3-trifluoro-5-(trifluoromethyl)benzene
CID 157268578
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methylhydrazine
CID 142056538
2-bromo-6-chloro-4-(trifluoromethyl)phenol
CID 84714200
[3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane
CID 157423256
N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine
CID 58121577
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol
CID 119020777
2-chloro-4-(trifluoromethyl)phenol
CID 2736603

Frequently Asked Questions

What is the IUPAC name of [2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide?
The IUPAC name of [2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide (CID 172878584) is [2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide.
What is the SMILES notation for [2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide?
The canonical SMILES for [2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide is [BH3-]c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide?
The InChIKey is CXWSOZNPCSOLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BCl2F3/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H,8H3/q-1.
What are the key properties of [2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide?
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide has a molecular weight of 227.83 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide is sourced from PubChem (CID 172878584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).