[3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide

C7H3BClF6- — CID 116700642

IUPAC[3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C7H3BClF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H/q-1
InChIKeyWUXLLVLQMNDTPM-UHFFFAOYSA-N
MW247.35 g/mol
LogP3.41
Rot. Bonds1

About [3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide

[3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide (PubChem CID 116700642) has the molecular formula C7H3BClF6- and a molecular weight of 247.35 g/mol. Its IUPAC name is [3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide.

Molecular Properties

Compound Name[3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide
PubChem CID116700642
Molecular FormulaC7H3BClF6-
Molecular Weight247.35 g/mol
Exact Mass246.99
IUPAC Name[3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C7H3BClF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H/q-1
InChIKeyWUXLLVLQMNDTPM-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 53.41
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-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353
silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 24773254
3-chloro-5-(trifluoromethyl)benzenediazonium
CID 86145286
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
CID 3714672
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976
sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;dihydrate
CID 140670256
bis(5-chlorothiophen-2-yl)iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139729236
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene
CID 123239605
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine
CID 134433954

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide?
The IUPAC name of [3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide (CID 116700642) is [3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide.
What is the SMILES notation for [3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide?
The canonical SMILES for [3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide is F[B-](F)(F)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of [3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide?
The InChIKey is WUXLLVLQMNDTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BClF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H/q-1.
What are the key properties of [3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide?
[3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide has a molecular weight of 247.35 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide is sourced from PubChem (CID 116700642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).