(2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane

C16H22F5P — CID 12866565

IUPAC(2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane
SMILESCC(C)P(=Cc1c(F)c(F)c(F)c(F)c1F)(C(C)C)C(C)C
InChIInChI=1S/C16H22F5P/c1-8(2)22(9(3)4,10(5)6)7-11-12(17)14(19)16(21)15(20)13(11)18/h7-10H,1-6H3
InChIKeyQZDOUEJZLRXMQH-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.78
Rot. Bonds4

About (2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane

(2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane (PubChem CID 12866565) has the molecular formula C16H22F5P and a molecular weight of 340.32 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane
PubChem CID12866565
Molecular FormulaC16H22F5P
Molecular Weight340.32 g/mol
Exact Mass340.14
IUPAC Name(2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane
SMILESCC(C)P(=Cc1c(F)c(F)c(F)c(F)c1F)(C(C)C)C(C)C
InChIInChI=1S/C16H22F5P/c1-8(2)22(9(3)4,10(5)6)7-11-12(17)14(19)16(21)15(20)13(11)18/h7-10H,1-6H3
InChIKeyQZDOUEJZLRXMQH-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane (CID 12866565) is (2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane is CC(C)P(=Cc1c(F)c(F)c(F)c(F)c1F)(C(C)C)C(C)C.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane?
The InChIKey is QZDOUEJZLRXMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F5P/c1-8(2)22(9(3)4,10(5)6)7-11-12(17)14(19)16(21)15(20)13(11)18/h7-10H,1-6H3.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane?
(2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane has a molecular weight of 340.32 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)methylidene-tri(propan-2-yl)-λ5-phosphane is sourced from PubChem (CID 12866565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).