[(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane

C14H19FN2P2 — CID 170149774

IUPAC[(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane
SMILESCC(C)(C)n1cc(-c2ccccc2)c(C(F)(P)P)n1
InChIInChI=1S/C14H19FN2P2/c1-13(2,3)17-9-11(10-7-5-4-6-8-10)12(16-17)14(15,18)19/h4-9H,18-19H2,1-3H3
InChIKeyYVVSNBZEWKPNTB-UHFFFAOYSA-N
MW296.27 g/mol
LogP4.14
Rot. Bonds2

About [(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane

[(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane (PubChem CID 170149774) has the molecular formula C14H19FN2P2 and a molecular weight of 296.27 g/mol. Its IUPAC name is [(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane.

Molecular Properties

Compound Name[(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane
PubChem CID170149774
Molecular FormulaC14H19FN2P2
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name[(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane
SMILESCC(C)(C)n1cc(-c2ccccc2)c(C(F)(P)P)n1
InChIInChI=1S/C14H19FN2P2/c1-13(2,3)17-9-11(10-7-5-4-6-8-10)12(16-17)14(15,18)19/h4-9H,18-19H2,1-3H3
InChIKeyYVVSNBZEWKPNTB-UHFFFAOYSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 54.14
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 [(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane?
The IUPAC name of [(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane (CID 170149774) is [(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane.
What is the SMILES notation for [(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane?
The canonical SMILES for [(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane is CC(C)(C)n1cc(-c2ccccc2)c(C(F)(P)P)n1.
What is the InChIKey of [(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane?
The InChIKey is YVVSNBZEWKPNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2P2/c1-13(2,3)17-9-11(10-7-5-4-6-8-10)12(16-17)14(15,18)19/h4-9H,18-19H2,1-3H3.
What are the key properties of [(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane?
[(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane has a molecular weight of 296.27 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-tert-butyl-4-phenylpyrazol-3-yl)-fluoro-phosphanylmethyl]phosphane is sourced from PubChem (CID 170149774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).