4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine

C11H5ClF4N2O — CID 106766711

IUPAC4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
SMILESFc1cccc(Oc2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H5ClF4N2O/c12-8-5-9(18-10(17-8)11(14,15)16)19-7-3-1-2-6(13)4-7/h1-5H
InChIKeyWDXAONUXHCNRBA-UHFFFAOYSA-N
MW292.62 g/mol
LogP4.08
Rot. Bonds2

About 4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine (PubChem CID 106766711) has the molecular formula C11H5ClF4N2O and a molecular weight of 292.62 g/mol. Its IUPAC name is 4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
PubChem CID106766711
Molecular FormulaC11H5ClF4N2O
Molecular Weight292.62 g/mol
Exact Mass292.00
IUPAC Name4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
SMILESFc1cccc(Oc2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H5ClF4N2O/c12-8-5-9(18-10(17-8)11(14,15)16)19-7-3-1-2-6(13)4-7/h1-5H
InChIKeyWDXAONUXHCNRBA-UHFFFAOYSA-N
XLogP4.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.62
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 102715210
3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline
CID 106766765
4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766686
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384
4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766697
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766656
4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766742
2-chloro-4-(3-fluorophenoxy)pyrimidine
CID 53486075
2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965315
2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 141360460
[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80979164
6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774103

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine (CID 106766711) is 4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine is Fc1cccc(Oc2cc(Cl)nc(C(F)(F)F)n2)c1.
What is the InChIKey of 4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine?
The InChIKey is WDXAONUXHCNRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF4N2O/c12-8-5-9(18-10(17-8)11(14,15)16)19-7-3-1-2-6(13)4-7/h1-5H.
What are the key properties of 4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine has a molecular weight of 292.62 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).