methylphosphane;4-(trifluoromethyl)pyrimidine

C6H8F3N2P — CID 143699772

IUPACmethylphosphane;4-(trifluoromethyl)pyrimidine
SMILESCP.FC(F)(F)c1ccncn1
InChIInChI=1S/C5H3F3N2.CH5P/c6-5(7,8)4-1-2-9-3-10-4;1-2/h1-3H;2H2,1H3
InChIKeyJRICENJXMCELIQ-UHFFFAOYSA-N
MW196.11 g/mol
LogP1.99
Rot. Bonds

About methylphosphane;4-(trifluoromethyl)pyrimidine

methylphosphane;4-(trifluoromethyl)pyrimidine (PubChem CID 143699772) has the molecular formula C6H8F3N2P and a molecular weight of 196.11 g/mol. Its IUPAC name is methylphosphane;4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Namemethylphosphane;4-(trifluoromethyl)pyrimidine
PubChem CID143699772
Molecular FormulaC6H8F3N2P
Molecular Weight196.11 g/mol
Exact Mass196.04
IUPAC Namemethylphosphane;4-(trifluoromethyl)pyrimidine
SMILESCP.FC(F)(F)c1ccncn1
InChIInChI=1S/C5H3F3N2.CH5P/c6-5(7,8)4-1-2-9-3-10-4;1-2/h1-3H;2H2,1H3
InChIKeyJRICENJXMCELIQ-UHFFFAOYSA-N
XLogP1.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.11
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methylphosphane;4-(trifluoromethyl)pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine
CID 174479107
2,2-difluoro-2-pyrimidin-4-ylacetonitrile
CID 135394015
4-(2-methylbutan-2-yl)pyrimidine
CID 118043588
2-methyl-2-pyrimidin-4-ylpropanenitrile
CID 130544390
4-methylpyrimidine;1,1,1-trifluoroethane
CID 143795671
2-methyl-2-pyrimidin-4-ylpropanoic acid
CID 82414356
4-(2-pyrimidin-4-ylpropan-2-yl)phenol
CID 112714060
5-pyridin-4-yl-2-(trifluoromethyl)pyridine
CID 46316298
4-tert-butyl-5-deuteriopyrimidine
CID 140918895
4-(trifluoromethyl)pyrimidin-2-olate
CID 42553718
ethane;5-methyl-2-(trifluoromethyl)pyridine
CID 143930819
4-(7-methyltridecan-7-yl)pyrimidine
CID 126624853

Frequently Asked Questions

What is the IUPAC name of methylphosphane;4-(trifluoromethyl)pyrimidine?
The IUPAC name of methylphosphane;4-(trifluoromethyl)pyrimidine (CID 143699772) is methylphosphane;4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for methylphosphane;4-(trifluoromethyl)pyrimidine?
The canonical SMILES for methylphosphane;4-(trifluoromethyl)pyrimidine is CP.FC(F)(F)c1ccncn1.
What is the InChIKey of methylphosphane;4-(trifluoromethyl)pyrimidine?
The InChIKey is JRICENJXMCELIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2.CH5P/c6-5(7,8)4-1-2-9-3-10-4;1-2/h1-3H;2H2,1H3.
What are the key properties of methylphosphane;4-(trifluoromethyl)pyrimidine?
methylphosphane;4-(trifluoromethyl)pyrimidine has a molecular weight of 196.11 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphane;4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 143699772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).