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

C14H12ClF3N2O — CID 106766686

IUPAC4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cccc(Oc2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C14H12ClF3N2O/c1-8(2)9-4-3-5-10(6-9)21-12-7-11(15)19-13(20-12)14(16,17)18/h3-8H,1-2H3
InChIKeyRWCLYLUNFHRRMD-UHFFFAOYSA-N
MW316.71 g/mol
LogP5.06
Rot. Bonds3

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

4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine (PubChem CID 106766686) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine
PubChem CID106766686
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cccc(Oc2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C14H12ClF3N2O/c1-8(2)9-4-3-5-10(6-9)21-12-7-11(15)19-13(20-12)14(16,17)18/h3-8H,1-2H3
InChIKeyRWCLYLUNFHRRMD-UHFFFAOYSA-N
XLogP5.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.71
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766711
3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline
CID 106766765
2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343545
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
4-chloro-6-(3-chlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948656
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766742
2-chloro-5-(3-propan-2-ylphenoxy)pyridine
CID 82225199
4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80948066
4-chloro-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768965
[3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol
CID 61255662
4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
CID 106766872

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine (CID 106766686) is 4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine is CC(C)c1cccc(Oc2cc(Cl)nc(C(F)(F)F)n2)c1.
What is the InChIKey of 4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine?
The InChIKey is RWCLYLUNFHRRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-8(2)9-4-3-5-10(6-9)21-12-7-11(15)19-13(20-12)14(16,17)18/h3-8H,1-2H3.
What are the key properties of 4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine has a molecular weight of 316.71 g/mol, XLogP of 5.06, 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-ylphenoxy)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).