2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine

C12H5ClF6N2 — CID 57468661

IUPAC2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1cccc(-c2cc(C(F)(F)F)nc(Cl)n2)c1
InChIInChI=1S/C12H5ClF6N2/c13-10-20-8(5-9(21-10)12(17,18)19)6-2-1-3-7(4-6)11(14,15)16/h1-5H
InChIKeyWVZOHQVMXOTTDA-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.83
Rot. Bonds1

About 2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine

2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 57468661) has the molecular formula C12H5ClF6N2 and a molecular weight of 326.63 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID57468661
Molecular FormulaC12H5ClF6N2
Molecular Weight326.63 g/mol
Exact Mass326.00
IUPAC Name2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1cccc(-c2cc(C(F)(F)F)nc(Cl)n2)c1
InChIInChI=1S/C12H5ClF6N2/c13-10-20-8(5-9(21-10)12(17,18)19)6-2-1-3-7(4-6)11(14,15)16/h1-5H
InChIKeyWVZOHQVMXOTTDA-UHFFFAOYSA-N
XLogP4.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468773
2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 15477740
2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine
CID 112693753
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667
4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 91926916
4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 86612500
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
3-[4-[4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
CID 57469114
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468690

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine (CID 57468661) is 2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1cccc(-c2cc(C(F)(F)F)nc(Cl)n2)c1.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is WVZOHQVMXOTTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF6N2/c13-10-20-8(5-9(21-10)12(17,18)19)6-2-1-3-7(4-6)11(14,15)16/h1-5H.
What are the key properties of 2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine?
2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 326.63 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 57468661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).