2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene

C10H12F3OP — CID 117063489

IUPAC2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)cc1P(C)(C)=O
InChIInChI=1S/C10H12F3OP/c1-7-4-5-8(10(11,12)13)6-9(7)15(2,3)14/h4-6H,1-3H3
InChIKeyBJZKVXCADJOQRJ-UHFFFAOYSA-N
MW236.17 g/mol
LogP3.26
Rot. Bonds1

About 2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene

2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene (PubChem CID 117063489) has the molecular formula C10H12F3OP and a molecular weight of 236.17 g/mol. Its IUPAC name is 2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene
PubChem CID117063489
Molecular FormulaC10H12F3OP
Molecular Weight236.17 g/mol
Exact Mass236.06
IUPAC Name2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)cc1P(C)(C)=O
InChIInChI=1S/C10H12F3OP/c1-7-4-5-8(10(11,12)13)6-9(7)15(2,3)14/h4-6H,1-3H3
InChIKeyBJZKVXCADJOQRJ-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-dimethylphosphoryl-4-(trifluoromethyl)aniline
CID 167459884
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
1-methyl-2-nitroso-4-(trifluoromethyl)benzene
CID 89173391
tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane
CID 102469414
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
ethane;1-methyl-2-nitro-4-(trifluoromethyl)benzene
CID 142902784
CID 58394326
CID 58394326
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene
CID 145466180
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene
CID 168993279

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of 2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene (CID 117063489) is 2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene is Cc1ccc(C(F)(F)F)cc1P(C)(C)=O.
What is the InChIKey of 2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene?
The InChIKey is BJZKVXCADJOQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3OP/c1-7-4-5-8(10(11,12)13)6-9(7)15(2,3)14/h4-6H,1-3H3.
What are the key properties of 2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene?
2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene has a molecular weight of 236.17 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 117063489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).