4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine

C11H7ClF2N2O — CID 11391227

IUPAC4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine
SMILESCc1c(Cl)cccc1Oc1ncnc(F)c1F
InChIInChI=1S/C11H7ClF2N2O/c1-6-7(12)3-2-4-8(6)17-11-9(13)10(14)15-5-16-11/h2-5H,1H3
InChIKeyUJWNCGWLPHAHKU-UHFFFAOYSA-N
MW256.64 g/mol
LogP3.51
Rot. Bonds2

About 4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine

4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine (PubChem CID 11391227) has the molecular formula C11H7ClF2N2O and a molecular weight of 256.64 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine
PubChem CID11391227
Molecular FormulaC11H7ClF2N2O
Molecular Weight256.64 g/mol
Exact Mass256.02
IUPAC Name4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine
SMILESCc1c(Cl)cccc1Oc1ncnc(F)c1F
InChIInChI=1S/C11H7ClF2N2O/c1-6-7(12)3-2-4-8(6)17-11-9(13)10(14)15-5-16-11/h2-5H,1H3
InChIKeyUJWNCGWLPHAHKU-UHFFFAOYSA-N
XLogP3.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine?
The IUPAC name of 4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine (CID 11391227) is 4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine.
What is the SMILES notation for 4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine?
The canonical SMILES for 4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine is Cc1c(Cl)cccc1Oc1ncnc(F)c1F.
What is the InChIKey of 4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine?
The InChIKey is UJWNCGWLPHAHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O/c1-6-7(12)3-2-4-8(6)17-11-9(13)10(14)15-5-16-11/h2-5H,1H3.
What are the key properties of 4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine?
4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine has a molecular weight of 256.64 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenoxy)-5,6-difluoropyrimidine is sourced from PubChem (CID 11391227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).