tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane

C24H18F9P — CID 102469414

IUPACtris[2-methyl-5-(trifluoromethyl)phenyl]phosphane
SMILESCc1ccc(C(F)(F)F)cc1P(c1cc(C(F)(F)F)ccc1C)c1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C24H18F9P/c1-13-4-7-16(22(25,26)27)10-19(13)34(20-11-17(23(28,29)30)8-5-14(20)2)21-12-18(24(31,32)33)9-6-15(21)3/h4-12H,1-3H3
InChIKeyAWXQFRZNLAZGOO-UHFFFAOYSA-N
MW508.36 g/mol
LogP7.43
Rot. Bonds3

About tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane

tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane (PubChem CID 102469414) has the molecular formula C24H18F9P and a molecular weight of 508.36 g/mol. Its IUPAC name is tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Nametris[2-methyl-5-(trifluoromethyl)phenyl]phosphane
PubChem CID102469414
Molecular FormulaC24H18F9P
Molecular Weight508.36 g/mol
Exact Mass508.10
IUPAC Nametris[2-methyl-5-(trifluoromethyl)phenyl]phosphane
SMILESCc1ccc(C(F)(F)F)cc1P(c1cc(C(F)(F)F)ccc1C)c1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C24H18F9P/c1-13-4-7-16(22(25,26)27)10-19(13)34(20-11-17(23(28,29)30)8-5-14(20)2)21-12-18(24(31,32)33)9-6-15(21)3/h4-12H,1-3H3
InChIKeyAWXQFRZNLAZGOO-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.36
LogP ≤ 57.43
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-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
1-methyl-2-nitroso-4-(trifluoromethyl)benzene
CID 89173391
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene
CID 168993279
2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene
CID 117063489
bis(5-tert-butyl-2-methylphenyl)phosphinous acid
CID 71196791
2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole
CID 163645607
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358

Frequently Asked Questions

What is the IUPAC name of tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane (CID 102469414) is tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane is Cc1ccc(C(F)(F)F)cc1P(c1cc(C(F)(F)F)ccc1C)c1cc(C(F)(F)F)ccc1C.
What is the InChIKey of tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane?
The InChIKey is AWXQFRZNLAZGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F9P/c1-13-4-7-16(22(25,26)27)10-19(13)34(20-11-17(23(28,29)30)8-5-14(20)2)21-12-18(24(31,32)33)9-6-15(21)3/h4-12H,1-3H3.
What are the key properties of tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane?
tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane has a molecular weight of 508.36 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 102469414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).