[2-fluoro-4-(3-fluorophenyl)phenyl]borane

C12H9BF2 — CID 88897017

IUPAC[2-fluoro-4-(3-fluorophenyl)phenyl]borane
SMILESBc1ccc(-c2cccc(F)c2)cc1F
InChIInChI=1S/C12H9BF2/c13-11-5-4-9(7-12(11)15)8-2-1-3-10(14)6-8/h1-7H,13H2
InChIKeyNNVBVOCSRLINBU-UHFFFAOYSA-N
MW202.01 g/mol
LogP1.89
Rot. Bonds1

About [2-fluoro-4-(3-fluorophenyl)phenyl]borane

[2-fluoro-4-(3-fluorophenyl)phenyl]borane (PubChem CID 88897017) has the molecular formula C12H9BF2 and a molecular weight of 202.01 g/mol. Its IUPAC name is [2-fluoro-4-(3-fluorophenyl)phenyl]borane.

Molecular Properties

Compound Name[2-fluoro-4-(3-fluorophenyl)phenyl]borane
PubChem CID88897017
Molecular FormulaC12H9BF2
Molecular Weight202.01 g/mol
Exact Mass202.08
IUPAC Name[2-fluoro-4-(3-fluorophenyl)phenyl]borane
SMILESBc1ccc(-c2cccc(F)c2)cc1F
InChIInChI=1S/C12H9BF2/c13-11-5-4-9(7-12(11)15)8-2-1-3-10(14)6-8/h1-7H,13H2
InChIKeyNNVBVOCSRLINBU-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 51.89
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

2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571
1-fluoro-3-(3-fluorophenyl)naphthalene
CID 46313976
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
[2-fluoro-4-(3-fluorophenyl)phenyl]-methylborinic acid
CID 58430116
2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene
CID 174288764
2-[4-(3-fluorophenyl)phenyl]dibenzothiophene
CID 170397972
5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
1-fluoro-5-(3-fluorophenyl)naphthalene
CID 46313965
tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane
CID 176748689
2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene
CID 171056204
4-(3-fluorophenyl)-N,N-dimethylaniline
CID 54450896

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(3-fluorophenyl)phenyl]borane?
The IUPAC name of [2-fluoro-4-(3-fluorophenyl)phenyl]borane (CID 88897017) is [2-fluoro-4-(3-fluorophenyl)phenyl]borane.
What is the SMILES notation for [2-fluoro-4-(3-fluorophenyl)phenyl]borane?
The canonical SMILES for [2-fluoro-4-(3-fluorophenyl)phenyl]borane is Bc1ccc(-c2cccc(F)c2)cc1F.
What is the InChIKey of [2-fluoro-4-(3-fluorophenyl)phenyl]borane?
The InChIKey is NNVBVOCSRLINBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BF2/c13-11-5-4-9(7-12(11)15)8-2-1-3-10(14)6-8/h1-7H,13H2.
What are the key properties of [2-fluoro-4-(3-fluorophenyl)phenyl]borane?
[2-fluoro-4-(3-fluorophenyl)phenyl]borane has a molecular weight of 202.01 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(3-fluorophenyl)phenyl]borane is sourced from PubChem (CID 88897017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).