tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane

C21H6F18N3P — CID 140625085

IUPACtris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane
SMILESFC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)nc2C(F)(F)F)c2ccc(C(F)(F)F)nc2C(F)(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C21H6F18N3P/c22-16(23,24)10-4-1-7(13(40-10)19(31,32)33)43(8-2-5-11(17(25,26)27)41-14(8)20(34,35)36)9-3-6-12(18(28,29)30)42-15(9)21(37,38)39/h1-6H
InChIKeyCIHIZLGVNOFVFY-UHFFFAOYSA-N
MW673.24 g/mol
LogP7.74
Rot. Bonds3

About tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane

tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane (PubChem CID 140625085) has the molecular formula C21H6F18N3P and a molecular weight of 673.24 g/mol. Its IUPAC name is tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane.

Molecular Properties

Compound Nametris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane
PubChem CID140625085
Molecular FormulaC21H6F18N3P
Molecular Weight673.24 g/mol
Exact Mass673.00
IUPAC Nametris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane
SMILESFC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)nc2C(F)(F)F)c2ccc(C(F)(F)F)nc2C(F)(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C21H6F18N3P/c22-16(23,24)10-4-1-7(13(40-10)19(31,32)33)43(8-2-5-11(17(25,26)27)41-14(8)20(34,35)36)9-3-6-12(18(28,29)30)42-15(9)21(37,38)39/h1-6H
InChIKeyCIHIZLGVNOFVFY-UHFFFAOYSA-N
XLogP7.74
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.24
LogP ≤ 57.74
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

6,6''-Dimethyl-2,2':6',2''-terpyridine
CID 11257813
6-Trifluoromethylpyridine dimer
CID 626071
6,6'-Difluoro-2,2'-bipyridine
CID 21583138
1-(6-fluoro-2-pyridinyl)-N,N-bis[(6-fluoro-2-pyridinyl)methyl]methanamine
CID 12107944
[2.1.1]-(2,6)-Pyridinophane
CID 11205659
2,6-Bis(6-methyl-2-pyridylmethyl)pyridine
CID 11335240
CID 57937025
CID 57937025
Tris(2-methyl-6-pyridyl)fluoromethane
CID 58106865
Bis(6-methylpyridin-2-yl)fluoromethane
CID 86673484
Bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane
CID 87213208
(6-Methylpyridin-2-yl)-bis[4-(trifluoromethyl)phenyl]phosphane
CID 87213322
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyridin-2-yl]pyridine
CID 87987734

Frequently Asked Questions

What is the IUPAC name of tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane?
The IUPAC name of tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane (CID 140625085) is tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane.
What is the SMILES notation for tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane?
The canonical SMILES for tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane is FC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)nc2C(F)(F)F)c2ccc(C(F)(F)F)nc2C(F)(F)F)c(C(F)(F)F)n1.
What is the InChIKey of tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane?
The InChIKey is CIHIZLGVNOFVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H6F18N3P/c22-16(23,24)10-4-1-7(13(40-10)19(31,32)33)43(8-2-5-11(17(25,26)27)41-14(8)20(34,35)36)9-3-6-12(18(28,29)30)42-15(9)21(37,38)39/h1-6H.
What are the key properties of tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane?
tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane has a molecular weight of 673.24 g/mol, XLogP of 7.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphane is sourced from PubChem (CID 140625085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).