2,2,2-trifluoroacetate;triphenylphosphanium

C20H16F3O2P — CID 19764058

IUPAC2,2,2-trifluoroacetate;triphenylphosphanium
SMILESO=C([O-])C(F)(F)F.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2HF3O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-2(4,5)1(6)7/h1-15H;(H,6,7)
InChIKeyHQAFBEZNAWYCKB-UHFFFAOYSA-N
MW376.31 g/mol
LogP2.48
Rot. Bonds3

About 2,2,2-trifluoroacetate;triphenylphosphanium

2,2,2-trifluoroacetate;triphenylphosphanium (PubChem CID 19764058) has the molecular formula C20H16F3O2P and a molecular weight of 376.31 g/mol. Its IUPAC name is 2,2,2-trifluoroacetate;triphenylphosphanium.

Molecular Properties

Compound Name2,2,2-trifluoroacetate;triphenylphosphanium
PubChem CID19764058
Molecular FormulaC20H16F3O2P
Molecular Weight376.31 g/mol
Exact Mass376.08
IUPAC Name2,2,2-trifluoroacetate;triphenylphosphanium
SMILESO=C([O-])C(F)(F)F.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2HF3O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-2(4,5)1(6)7/h1-15H;(H,6,7)
InChIKeyHQAFBEZNAWYCKB-UHFFFAOYSA-N
XLogP2.48
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 52.48
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

Fentin acetate
CID 16682804
Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester
CID 17453
Triphenylplumbyl acetate
CID 16682953
Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester
CID 70670
Ethyl 2-(triphenylphosphoranylidene)propionate
CID 79792
3-(Triphenylphosphoranyl)propanoic acid
CID 61357
Triphenylcarboxymethylphosphonium chloride
CID 202025
(2-Methoxy-2-oxoethyl)triphenylphosphonium bromide
CID 494138
(2-Carboxyethyl)triphenylphosphonium bromide
CID 2733850
Ethyltriphenylphosphonium acetate
CID 94470
Phosphonium, (2-methoxy-2-oxoethyl)triphenyl-, bromide (1:1)
CID 2733211
Phosphonium, (2-methoxy-2-oxoethyl)triphenyl-, chloride (1:1)
CID 2733549

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetate;triphenylphosphanium?
The IUPAC name of 2,2,2-trifluoroacetate;triphenylphosphanium (CID 19764058) is 2,2,2-trifluoroacetate;triphenylphosphanium.
What is the SMILES notation for 2,2,2-trifluoroacetate;triphenylphosphanium?
The canonical SMILES for 2,2,2-trifluoroacetate;triphenylphosphanium is O=C([O-])C(F)(F)F.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,2,2-trifluoroacetate;triphenylphosphanium?
The InChIKey is HQAFBEZNAWYCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C2HF3O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-2(4,5)1(6)7/h1-15H;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetate;triphenylphosphanium?
2,2,2-trifluoroacetate;triphenylphosphanium has a molecular weight of 376.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetate;triphenylphosphanium is sourced from PubChem (CID 19764058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).