4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine

C11H6ClF3N2O — CID 117061351

IUPAC4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cc(Oc2ccncn2)ccc1Cl
InChIInChI=1S/C11H6ClF3N2O/c12-9-2-1-7(5-8(9)11(13,14)15)18-10-3-4-16-6-17-10/h1-6H
InChIKeyXFLFHSWUEYHSMG-UHFFFAOYSA-N
MW274.63 g/mol
LogP3.94
Rot. Bonds2

About 4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine

4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 117061351) has the molecular formula C11H6ClF3N2O and a molecular weight of 274.63 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID117061351
Molecular FormulaC11H6ClF3N2O
Molecular Weight274.63 g/mol
Exact Mass274.01
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cc(Oc2ccncn2)ccc1Cl
InChIInChI=1S/C11H6ClF3N2O/c12-9-2-1-7(5-8(9)11(13,14)15)18-10-3-4-16-6-17-10/h1-6H
InChIKeyXFLFHSWUEYHSMG-UHFFFAOYSA-N
XLogP3.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-pyrimidin-4-yloxyaniline
CID 62111624
3-chloro-6-[4-chloro-3-(trifluoromethyl)phenoxy]pyridazine
CID 154125386
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 25231150
1-[4-(6-chloropyrimidin-4-yl)oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 58659336
4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine
CID 165349057
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene
CID 59627189
4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine
CID 620912
4-(3-methoxyphenoxy)pyrimidine
CID 140584284
2-fluoro-4-pyrimidin-4-yloxybenzoic acid
CID 107677489
4-(4-pyrimidin-4-yloxybenzoyl)benzoic acid
CID 58302684
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11476057

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine (CID 117061351) is 4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine is FC(F)(F)c1cc(Oc2ccncn2)ccc1Cl.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is XFLFHSWUEYHSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O/c12-9-2-1-7(5-8(9)11(13,14)15)18-10-3-4-16-6-17-10/h1-6H.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine?
4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 274.63 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 117061351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).