4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine

C14H12ClF3N2O — CID 106768965

IUPAC4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Oc1cccc(-c2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C14H12ClF3N2O/c1-8(2)21-10-5-3-4-9(6-10)11-7-12(15)20-13(19-11)14(16,17)18/h3-8H,1-2H3
InChIKeyVXUUKFNIXABYKF-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.60
Rot. Bonds3

About 4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106768965) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine
PubChem CID106768965
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Oc1cccc(-c2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C14H12ClF3N2O/c1-8(2)21-10-5-3-4-9(6-10)11-7-12(15)20-13(19-11)14(16,17)18/h3-8H,1-2H3
InChIKeyVXUUKFNIXABYKF-UHFFFAOYSA-N
XLogP4.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766686
2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352
4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768869
4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66311636
4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 63405768
7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride
CID 46779468
2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
CID 54850447
4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 86612500
4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 83240232
4-chloro-6-(3-cyclopropyloxyphenyl)-2-propan-2-ylpyrimidine
CID 114523154
2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80946930
2-tert-butyl-4-chloro-6-(3-nitrophenyl)pyrimidine
CID 80952591

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine (CID 106768965) is 4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine is CC(C)Oc1cccc(-c2cc(Cl)nc(C(F)(F)F)n2)c1.
What is the InChIKey of 4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is VXUUKFNIXABYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-8(2)21-10-5-3-4-9(6-10)11-7-12(15)20-13(19-11)14(16,17)18/h3-8H,1-2H3.
What are the key properties of 4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 316.71 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).