[1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane

C9H16FN2P — CID 134286515

IUPAC[1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane
SMILESCC(C)c1cn(C)nc1C(C)(F)P
InChIInChI=1S/C9H16FN2P/c1-6(2)7-5-12(4)11-8(7)9(3,10)13/h5-6H,13H2,1-4H3
InChIKeyPUGLRWHTFSYTEH-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.56
Rot. Bonds2

About [1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane

[1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane (PubChem CID 134286515) has the molecular formula C9H16FN2P and a molecular weight of 202.21 g/mol. Its IUPAC name is [1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane.

Molecular Properties

Compound Name[1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane
PubChem CID134286515
Molecular FormulaC9H16FN2P
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name[1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane
SMILESCC(C)c1cn(C)nc1C(C)(F)P
InChIInChI=1S/C9H16FN2P/c1-6(2)7-5-12(4)11-8(7)9(3,10)13/h5-6H,13H2,1-4H3
InChIKeyPUGLRWHTFSYTEH-UHFFFAOYSA-N
XLogP2.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.56
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-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane?
The IUPAC name of [1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane (CID 134286515) is [1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane.
What is the SMILES notation for [1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane?
The canonical SMILES for [1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane is CC(C)c1cn(C)nc1C(C)(F)P.
What is the InChIKey of [1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane?
The InChIKey is PUGLRWHTFSYTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN2P/c1-6(2)7-5-12(4)11-8(7)9(3,10)13/h5-6H,13H2,1-4H3.
What are the key properties of [1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane?
[1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane has a molecular weight of 202.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane is sourced from PubChem (CID 134286515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).