[(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane

C8H14FN2P — CID 154991935

IUPAC[(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane
SMILESCC(C)(C)c1cnn(C(F)P)c1
InChIInChI=1S/C8H14FN2P/c1-8(2,3)6-4-10-11(5-6)7(9)12/h4-5,7H,12H2,1-3H3
InChIKeyOIHWYMXHYGPZIZ-UHFFFAOYSA-N
MW188.19 g/mol
LogP2.48
Rot. Bonds1

About [(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane

[(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane (PubChem CID 154991935) has the molecular formula C8H14FN2P and a molecular weight of 188.19 g/mol. Its IUPAC name is [(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane.

Molecular Properties

Compound Name[(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane
PubChem CID154991935
Molecular FormulaC8H14FN2P
Molecular Weight188.19 g/mol
Exact Mass188.09
IUPAC Name[(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane
SMILESCC(C)(C)c1cnn(C(F)P)c1
InChIInChI=1S/C8H14FN2P/c1-8(2,3)6-4-10-11(5-6)7(9)12/h4-5,7H,12H2,1-3H3
InChIKeyOIHWYMXHYGPZIZ-UHFFFAOYSA-N
XLogP2.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 52.48
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 [(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane?
The IUPAC name of [(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane (CID 154991935) is [(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane.
What is the SMILES notation for [(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane?
The canonical SMILES for [(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane is CC(C)(C)c1cnn(C(F)P)c1.
What is the InChIKey of [(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane?
The InChIKey is OIHWYMXHYGPZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN2P/c1-8(2,3)6-4-10-11(5-6)7(9)12/h4-5,7H,12H2,1-3H3.
What are the key properties of [(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane?
[(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane has a molecular weight of 188.19 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-tert-butylpyrazol-1-yl)-fluoromethyl]phosphane is sourced from PubChem (CID 154991935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).