2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone

C23H15F6O2P — CID 172831491

IUPAC2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone
SMILESC=P(c1ccccc1)(c1ccccc1)c1cccc(C(=O)C(F)(F)F)c1C(=O)C(F)(F)F
InChIInChI=1S/C23H15F6O2P/c1-32(15-9-4-2-5-10-15,16-11-6-3-7-12-16)18-14-8-13-17(20(30)22(24,25)26)19(18)21(31)23(27,28)29/h2-14H,1H2
InChIKeyVOOCDNBVFYYBTE-UHFFFAOYSA-N
MW468.33 g/mol
LogP4.90
Rot. Bonds5

About 2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone

2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone (PubChem CID 172831491) has the molecular formula C23H15F6O2P and a molecular weight of 468.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone
PubChem CID172831491
Molecular FormulaC23H15F6O2P
Molecular Weight468.33 g/mol
Exact Mass468.07
IUPAC Name2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone
SMILESC=P(c1ccccc1)(c1ccccc1)c1cccc(C(=O)C(F)(F)F)c1C(=O)C(F)(F)F
InChIInChI=1S/C23H15F6O2P/c1-32(15-9-4-2-5-10-15,16-11-6-3-7-12-16)18-14-8-13-17(20(30)22(24,25)26)19(18)21(31)23(27,28)29/h2-14H,1H2
InChIKeyVOOCDNBVFYYBTE-UHFFFAOYSA-N
XLogP4.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone
CID 140549408
1-[3-chloro-2-(2,2,2-trifluoroacetyl)phenyl]-2,2,2-trifluoroethanone
CID 87575430
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
CID 2761164
1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone
CID 141298206
ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone
CID 144759279
1-[2-amino-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 98461840
2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone
CID 151955540
1-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,2,2-trifluoroethanone
CID 141450702
1-[2,3-di(propan-2-yl)phenyl]-2,2,2-trifluoroethanone
CID 166059963
1-diphenylphosphoryl-2-(trifluoromethyl)benzene
CID 5232149
CID 23312652
CID 23312652
1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone
CID 174618366

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone (CID 172831491) is 2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone is C=P(c1ccccc1)(c1ccccc1)c1cccc(C(=O)C(F)(F)F)c1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone?
The InChIKey is VOOCDNBVFYYBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6O2P/c1-32(15-9-4-2-5-10-15,16-11-6-3-7-12-16)18-14-8-13-17(20(30)22(24,25)26)19(18)21(31)23(27,28)29/h2-14H,1H2.
What are the key properties of 2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone?
2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone has a molecular weight of 468.33 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone is sourced from PubChem (CID 172831491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).