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

C7H7F3NP — CID 145124563

IUPACmethyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane
SMILESCPc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C7H7F3NP/c1-12-6-4-5(2-3-11-6)7(8,9)10/h2-4,12H,1H3
InChIKeyLMBVNEDVVXZDKX-UHFFFAOYSA-N
MW193.11 g/mol
LogP2.03
Rot. Bonds1

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

methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane (PubChem CID 145124563) has the molecular formula C7H7F3NP and a molecular weight of 193.11 g/mol. Its IUPAC name is methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane.

Molecular Properties

Compound Namemethyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane
PubChem CID145124563
Molecular FormulaC7H7F3NP
Molecular Weight193.11 g/mol
Exact Mass193.03
IUPAC Namemethyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane
SMILESCPc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C7H7F3NP/c1-12-6-4-5(2-3-11-6)7(8,9)10/h2-4,12H,1H3
InChIKeyLMBVNEDVVXZDKX-UHFFFAOYSA-N
XLogP2.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.11
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane?
The IUPAC name of methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane (CID 145124563) is methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane.
What is the SMILES notation for methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane?
The canonical SMILES for methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane is CPc1cc(C(F)(F)F)ccn1.
What is the InChIKey of methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane?
The InChIKey is LMBVNEDVVXZDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3NP/c1-12-6-4-5(2-3-11-6)7(8,9)10/h2-4,12H,1H3.
What are the key properties of methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane?
methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane has a molecular weight of 193.11 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphane is sourced from PubChem (CID 145124563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).