[4-(trifluoromethyl)-2-pyridinyl]phosphane

C6H5F3NP — CID 143994599

IUPAC[4-(trifluoromethyl)-2-pyridinyl]phosphane
SMILESFC(F)(F)c1ccnc(P)c1
InChIInChI=1S/C6H5F3NP/c7-6(8,9)4-1-2-10-5(11)3-4/h1-3H,11H2
InChIKeyZXHYPPLVIXIRDJ-UHFFFAOYSA-N
MW179.08 g/mol
LogP1.60
Rot. Bonds

About [4-(trifluoromethyl)-2-pyridinyl]phosphane

[4-(trifluoromethyl)-2-pyridinyl]phosphane (PubChem CID 143994599) has the molecular formula C6H5F3NP and a molecular weight of 179.08 g/mol. Its IUPAC name is [4-(trifluoromethyl)-2-pyridinyl]phosphane.

Molecular Properties

Compound Name[4-(trifluoromethyl)-2-pyridinyl]phosphane
PubChem CID143994599
Molecular FormulaC6H5F3NP
Molecular Weight179.08 g/mol
Exact Mass179.01
IUPAC Name[4-(trifluoromethyl)-2-pyridinyl]phosphane
SMILESFC(F)(F)c1ccnc(P)c1
InChIInChI=1S/C6H5F3NP/c7-6(8,9)4-1-2-10-5(11)3-4/h1-3H,11H2
InChIKeyZXHYPPLVIXIRDJ-UHFFFAOYSA-N
XLogP1.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.08
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(trifluoromethyl)-2-pyridinyl]phosphane?
The IUPAC name of [4-(trifluoromethyl)-2-pyridinyl]phosphane (CID 143994599) is [4-(trifluoromethyl)-2-pyridinyl]phosphane.
What is the SMILES notation for [4-(trifluoromethyl)-2-pyridinyl]phosphane?
The canonical SMILES for [4-(trifluoromethyl)-2-pyridinyl]phosphane is FC(F)(F)c1ccnc(P)c1.
What is the InChIKey of [4-(trifluoromethyl)-2-pyridinyl]phosphane?
The InChIKey is ZXHYPPLVIXIRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3NP/c7-6(8,9)4-1-2-10-5(11)3-4/h1-3H,11H2.
What are the key properties of [4-(trifluoromethyl)-2-pyridinyl]phosphane?
[4-(trifluoromethyl)-2-pyridinyl]phosphane has a molecular weight of 179.08 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-2-pyridinyl]phosphane is sourced from PubChem (CID 143994599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).