[fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane

C13H17FN2P2 — CID 170150110

IUPAC[fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane
SMILESCC(C)n1cc(-c2ccccc2)c(C(F)(P)P)n1
InChIInChI=1S/C13H17FN2P2/c1-9(2)16-8-11(10-6-4-3-5-7-10)12(15-16)13(14,17)18/h3-9H,17-18H2,1-2H3
InChIKeyJFLFLVPGQVGQQG-UHFFFAOYSA-N
MW282.24 g/mol
LogP3.96
Rot. Bonds3

About [fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane

[fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane (PubChem CID 170150110) has the molecular formula C13H17FN2P2 and a molecular weight of 282.24 g/mol. Its IUPAC name is [fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane.

Molecular Properties

Compound Name[fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane
PubChem CID170150110
Molecular FormulaC13H17FN2P2
Molecular Weight282.24 g/mol
Exact Mass282.09
IUPAC Name[fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane
SMILESCC(C)n1cc(-c2ccccc2)c(C(F)(P)P)n1
InChIInChI=1S/C13H17FN2P2/c1-9(2)16-8-11(10-6-4-3-5-7-10)12(15-16)13(14,17)18/h3-9H,17-18H2,1-2H3
InChIKeyJFLFLVPGQVGQQG-UHFFFAOYSA-N
XLogP3.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 53.96
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 [fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane?
The IUPAC name of [fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane (CID 170150110) is [fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane.
What is the SMILES notation for [fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane?
The canonical SMILES for [fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane is CC(C)n1cc(-c2ccccc2)c(C(F)(P)P)n1.
What is the InChIKey of [fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane?
The InChIKey is JFLFLVPGQVGQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2P2/c1-9(2)16-8-11(10-6-4-3-5-7-10)12(15-16)13(14,17)18/h3-9H,17-18H2,1-2H3.
What are the key properties of [fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane?
[fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane has a molecular weight of 282.24 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro-(4-phenyl-1-propan-2-ylpyrazol-3-yl)-phosphanylmethyl]phosphane is sourced from PubChem (CID 170150110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).