2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine

C11H5Cl2F3N2O — CID 140995544

IUPAC2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1ccc(Cl)c(Oc2ccnc(Cl)n2)c1
InChIInChI=1S/C11H5Cl2F3N2O/c12-7-2-1-6(11(14,15)16)5-8(7)19-9-3-4-17-10(13)18-9/h1-5H
InChIKeyFSXYHPSFABLYCB-UHFFFAOYSA-N
MW309.07 g/mol
LogP4.59
Rot. Bonds2

About 2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine

2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 140995544) has the molecular formula C11H5Cl2F3N2O and a molecular weight of 309.07 g/mol. Its IUPAC name is 2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID140995544
Molecular FormulaC11H5Cl2F3N2O
Molecular Weight309.07 g/mol
Exact Mass307.97
IUPAC Name2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1ccc(Cl)c(Oc2ccnc(Cl)n2)c1
InChIInChI=1S/C11H5Cl2F3N2O/c12-7-2-1-6(11(14,15)16)5-8(7)19-9-3-4-17-10(13)18-9/h1-5H
InChIKeyFSXYHPSFABLYCB-UHFFFAOYSA-N
XLogP4.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.07
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine
CID 154125773
2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine
CID 162220727
2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine
CID 114562020
1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene
CID 166607807
CID 87363082
CID 87363082
4-(4-tert-butylphenoxy)-2-chloropyrimidine
CID 55065851
2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine
CID 64854240
4-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine
CID 67256854
2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine
CID 64584499
2-chloro-4-(2-methylphenoxy)pyrimidine
CID 12679948
3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid
CID 19389250
4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine
CID 62336755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine (CID 140995544) is 2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine is FC(F)(F)c1ccc(Cl)c(Oc2ccnc(Cl)n2)c1.
What is the InChIKey of 2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is FSXYHPSFABLYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N2O/c12-7-2-1-6(11(14,15)16)5-8(7)19-9-3-4-17-10(13)18-9/h1-5H.
What are the key properties of 2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine?
2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 309.07 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 140995544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).