tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane

C39H24F9O3P — CID 87300130

IUPACtris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane
SMILESFC(F)(F)c1ccccc1Oc1ccc(P(c2ccc(Oc3ccccc3C(F)(F)F)cc2)c2ccc(Oc3ccccc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C39H24F9O3P/c40-37(41,42)31-7-1-4-10-34(31)49-25-13-19-28(20-14-25)52(29-21-15-26(16-22-29)50-35-11-5-2-8-32(35)38(43,44)45)30-23-17-27(18-24-30)51-36-12-6-3-9-33(36)39(46,47)48/h1-24H
InChIKeyCUQWDEBXHFURMR-UHFFFAOYSA-N
MW742.57 g/mol
LogP11.88
Rot. Bonds9

About tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane

tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane (PubChem CID 87300130) has the molecular formula C39H24F9O3P and a molecular weight of 742.57 g/mol. Its IUPAC name is tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane.

Molecular Properties

Compound Nametris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane
PubChem CID87300130
Molecular FormulaC39H24F9O3P
Molecular Weight742.57 g/mol
Exact Mass742.13
IUPAC Nametris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane
SMILESFC(F)(F)c1ccccc1Oc1ccc(P(c2ccc(Oc3ccccc3C(F)(F)F)cc2)c2ccc(Oc3ccccc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C39H24F9O3P/c40-37(41,42)31-7-1-4-10-34(31)49-25-13-19-28(20-14-25)52(29-21-15-26(16-22-29)50-35-11-5-2-8-32(35)38(43,44)45)30-23-17-27(18-24-30)51-36-12-6-3-9-33(36)39(46,47)48/h1-24H
InChIKeyCUQWDEBXHFURMR-UHFFFAOYSA-N
XLogP11.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.57
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethynyl-4-[2-(trifluoromethyl)phenoxy]benzene
CID 155887443
1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene
CID 154508539
2-nitro-1,4-bis[2-(trifluoromethyl)phenoxy]benzene
CID 97178511
2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 23325091
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde
CID 22283553
N-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
CID 175809900
4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine
CID 68829498
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 107677517
4-[2-(4-aminophenoxy)-3-(trifluoromethyl)phenoxy]aniline
CID 141214402
2-amino-5-[2-(trifluoromethyl)phenoxy]benzamide
CID 61312851
N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 70361958
1-[1,1,1,3,3,3-hexafluoro-2-[2-(4-nitrophenoxy)phenyl]propan-2-yl]-2-(4-nitrophenoxy)benzene
CID 139816676

Frequently Asked Questions

What is the IUPAC name of tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane?
The IUPAC name of tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane (CID 87300130) is tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane.
What is the SMILES notation for tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane?
The canonical SMILES for tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane is FC(F)(F)c1ccccc1Oc1ccc(P(c2ccc(Oc3ccccc3C(F)(F)F)cc2)c2ccc(Oc3ccccc3C(F)(F)F)cc2)cc1.
What is the InChIKey of tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane?
The InChIKey is CUQWDEBXHFURMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F9O3P/c40-37(41,42)31-7-1-4-10-34(31)49-25-13-19-28(20-14-25)52(29-21-15-26(16-22-29)50-35-11-5-2-8-32(35)38(43,44)45)30-23-17-27(18-24-30)51-36-12-6-3-9-33(36)39(46,47)48/h1-24H.
What are the key properties of tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane?
tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane has a molecular weight of 742.57 g/mol, XLogP of 11.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane is sourced from PubChem (CID 87300130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).