[2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane

C13H9BrF3P — CID 151698455

IUPAC[2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane
SMILESFC(F)(F)c1ccc(-c2cccc(Br)c2P)cc1
InChIInChI=1S/C13H9BrF3P/c14-11-3-1-2-10(12(11)18)8-4-6-9(7-5-8)13(15,16)17/h1-7H,18H2
InChIKeyREBKNOZDHFDFGK-UHFFFAOYSA-N
MW333.09 g/mol
LogP4.64
Rot. Bonds1

About [2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane

[2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane (PubChem CID 151698455) has the molecular formula C13H9BrF3P and a molecular weight of 333.09 g/mol. Its IUPAC name is [2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Name[2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane
PubChem CID151698455
Molecular FormulaC13H9BrF3P
Molecular Weight333.09 g/mol
Exact Mass331.96
IUPAC Name[2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane
SMILESFC(F)(F)c1ccc(-c2cccc(Br)c2P)cc1
InChIInChI=1S/C13H9BrF3P/c14-11-3-1-2-10(12(11)18)8-4-6-9(7-5-8)13(15,16)17/h1-7H,18H2
InChIKeyREBKNOZDHFDFGK-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.09
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 138671682
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene
CID 119018049
2-fluoro-3-[4-(trifluoromethyl)phenyl]aniline
CID 134624111
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
2-[2-amino-3-[4-(trifluoromethyl)phenyl]phenoxy]-6-[4-(trifluoromethyl)phenyl]aniline
CID 57275612
1-bromo-2,3-bis(4-tert-butylphenyl)benzene
CID 141112588
2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 169108707
2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene
CID 53441536
1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271329
[2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate
CID 87834390
1,6-bis[4-(trifluoromethyl)phenyl]pyrene;1,6-dibromopyrene;1,8-dibromopyrene
CID 157421916

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane?
The IUPAC name of [2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane (CID 151698455) is [2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane.
What is the SMILES notation for [2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane?
The canonical SMILES for [2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane is FC(F)(F)c1ccc(-c2cccc(Br)c2P)cc1.
What is the InChIKey of [2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane?
The InChIKey is REBKNOZDHFDFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3P/c14-11-3-1-2-10(12(11)18)8-4-6-9(7-5-8)13(15,16)17/h1-7H,18H2.
What are the key properties of [2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane?
[2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane has a molecular weight of 333.09 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane is sourced from PubChem (CID 151698455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).