azane;2,2,2-trifluoroacetic acid;triphenylphosphane

C20H19F3NO2P — CID 172749120

IUPACazane;2,2,2-trifluoroacetic acid;triphenylphosphane
SMILESN.O=C(O)C(F)(F)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2HF3O2.H3N/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);1H3
InChIKeyKDAPKQWPTKQVLV-UHFFFAOYSA-N
MW393.35 g/mol
LogP4.24
Rot. Bonds3

About azane;2,2,2-trifluoroacetic acid;triphenylphosphane

azane;2,2,2-trifluoroacetic acid;triphenylphosphane (PubChem CID 172749120) has the molecular formula C20H19F3NO2P and a molecular weight of 393.35 g/mol. Its IUPAC name is azane;2,2,2-trifluoroacetic acid;triphenylphosphane.

Molecular Properties

Compound Nameazane;2,2,2-trifluoroacetic acid;triphenylphosphane
PubChem CID172749120
Molecular FormulaC20H19F3NO2P
Molecular Weight393.35 g/mol
Exact Mass393.11
IUPAC Nameazane;2,2,2-trifluoroacetic acid;triphenylphosphane
SMILESN.O=C(O)C(F)(F)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2HF3O2.H3N/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);1H3
InChIKeyKDAPKQWPTKQVLV-UHFFFAOYSA-N
XLogP4.24
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyltriphenylphosphonium acetate
CID 94470
Triphenylcarboxymethylphosphonium chloride
CID 202025
3-(Triphenylphosphoranyl)propanoic acid
CID 61357
(2-Carboxyethyl)triphenylphosphonium bromide
CID 2733850
(2-Carboxyethyl)triphenylphosphonium chloride
CID 10270534
Acetic acid, 2-(triphenylstannyl)-
CID 182365
(Triphenylphosphonio)difluoroacetate
CID 71812679
(3-Carboxypropyl)triphenylphosphonium
CID 4429808
(2-Carboxyethyl)triphenylphosphonium hydroxide inner salt
CID 61356
Acetic acid;gold;triphenylphosphanium
CID 6333605
1,1,1-Triphenyl-N-(triphenylphosphoranylidene)phosphoraniminium 2,2,2-trifluoroacetate
CID 19800386
2-Carboxyethyl-triphenylphosphonium chloride
CID 87824769

Frequently Asked Questions

What is the IUPAC name of azane;2,2,2-trifluoroacetic acid;triphenylphosphane?
The IUPAC name of azane;2,2,2-trifluoroacetic acid;triphenylphosphane (CID 172749120) is azane;2,2,2-trifluoroacetic acid;triphenylphosphane.
What is the SMILES notation for azane;2,2,2-trifluoroacetic acid;triphenylphosphane?
The canonical SMILES for azane;2,2,2-trifluoroacetic acid;triphenylphosphane is N.O=C(O)C(F)(F)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of azane;2,2,2-trifluoroacetic acid;triphenylphosphane?
The InChIKey is KDAPKQWPTKQVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C2HF3O2.H3N/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);1H3.
What are the key properties of azane;2,2,2-trifluoroacetic acid;triphenylphosphane?
azane;2,2,2-trifluoroacetic acid;triphenylphosphane has a molecular weight of 393.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2,2-trifluoroacetic acid;triphenylphosphane is sourced from PubChem (CID 172749120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).