N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine

C8H10F3N3O — CID 162098302

IUPACN,N-dimethylformamide;2-(trifluoromethyl)pyrimidine
SMILESCN(C)C=O.FC(F)(F)c1ncccn1
InChIInChI=1S/C5H3F3N2.C3H7NO/c6-5(7,8)4-9-2-1-3-10-4;1-4(2)3-5/h1-3H;3H,1-2H3
InChIKeyZENUIENJORWBKL-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.20
Rot. Bonds1

About N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine

N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine (PubChem CID 162098302) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound NameN,N-dimethylformamide;2-(trifluoromethyl)pyrimidine
PubChem CID162098302
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN,N-dimethylformamide;2-(trifluoromethyl)pyrimidine
SMILESCN(C)C=O.FC(F)(F)c1ncccn1
InChIInChI=1S/C5H3F3N2.C3H7NO/c6-5(7,8)4-9-2-1-3-10-4;1-4(2)3-5/h1-3H;3H,1-2H3
InChIKeyZENUIENJORWBKL-UHFFFAOYSA-N
XLogP1.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine?
The IUPAC name of N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine (CID 162098302) is N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine?
The canonical SMILES for N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine is CN(C)C=O.FC(F)(F)c1ncccn1.
What is the InChIKey of N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine?
The InChIKey is ZENUIENJORWBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2.C3H7NO/c6-5(7,8)4-9-2-1-3-10-4;1-4(2)3-5/h1-3H;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine?
N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine has a molecular weight of 221.18 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 162098302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).