4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine

C12H8ClF3N2 — CID 14685614

IUPAC4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
SMILESFC(F)(F)c1cccc(Cc2nccc(Cl)n2)c1
InChIInChI=1S/C12H8ClF3N2/c13-10-4-5-17-11(18-10)7-8-2-1-3-9(6-8)12(14,15)16/h1-6H,7H2
InChIKeyIZLWRKXAXRFNEE-UHFFFAOYSA-N
MW272.66 g/mol
LogP3.74
Rot. Bonds2

About 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine

4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine (PubChem CID 14685614) has the molecular formula C12H8ClF3N2 and a molecular weight of 272.66 g/mol. Its IUPAC name is 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
PubChem CID14685614
Molecular FormulaC12H8ClF3N2
Molecular Weight272.66 g/mol
Exact Mass272.03
IUPAC Name4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
SMILESFC(F)(F)c1cccc(Cc2nccc(Cl)n2)c1
InChIInChI=1S/C12H8ClF3N2/c13-10-4-5-17-11(18-10)7-8-2-1-3-9(6-8)12(14,15)16/h1-6H,7H2
InChIKeyIZLWRKXAXRFNEE-UHFFFAOYSA-N
XLogP3.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The IUPAC name of 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine (CID 14685614) is 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The canonical SMILES for 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine is FC(F)(F)c1cccc(Cc2nccc(Cl)n2)c1.
What is the InChIKey of 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The InChIKey is IZLWRKXAXRFNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2/c13-10-4-5-17-11(18-10)7-8-2-1-3-9(6-8)12(14,15)16/h1-6H,7H2.
What are the key properties of 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine has a molecular weight of 272.66 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine is sourced from PubChem (CID 14685614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).