2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane

C26H14F18NOP — CID 123146141

IUPAC2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane
SMILESCC(C)(OP(c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)c1ccccn1
InChIInChI=1S/C26H14F18NOP/c1-20(2,17-5-3-4-6-45-17)46-47(18-13(23(33,34)35)7-11(21(27,28)29)8-14(18)24(36,37)38)19-15(25(39,40)41)9-12(22(30,31)32)10-16(19)26(42,43)44/h3-10H,1-2H3
InChIKeyXATUOWPNRFGYDL-UHFFFAOYSA-N
MW729.34 g/mol
LogP10.49
Rot. Bonds5

About 2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane

2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane (PubChem CID 123146141) has the molecular formula C26H14F18NOP and a molecular weight of 729.34 g/mol. Its IUPAC name is 2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane
PubChem CID123146141
Molecular FormulaC26H14F18NOP
Molecular Weight729.34 g/mol
Exact Mass729.05
IUPAC Name2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane
SMILESCC(C)(OP(c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)c1ccccn1
InChIInChI=1S/C26H14F18NOP/c1-20(2,17-5-3-4-6-45-17)46-47(18-13(23(33,34)35)7-11(21(27,28)29)8-14(18)24(36,37)38)19-15(25(39,40)41)9-12(22(30,31)32)10-16(19)26(42,43)44/h3-10H,1-2H3
InChIKeyXATUOWPNRFGYDL-UHFFFAOYSA-N
XLogP10.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.34
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane?
The IUPAC name of 2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane (CID 123146141) is 2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for 2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for 2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane is CC(C)(OP(c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane?
The InChIKey is XATUOWPNRFGYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F18NOP/c1-20(2,17-5-3-4-6-45-17)46-47(18-13(23(33,34)35)7-11(21(27,28)29)8-14(18)24(36,37)38)19-15(25(39,40)41)9-12(22(30,31)32)10-16(19)26(42,43)44/h3-10H,1-2H3.
What are the key properties of 2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane?
2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane has a molecular weight of 729.34 g/mol, XLogP of 10.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 123146141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).