4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine

C12H9Cl2FN2O — CID 82169669

IUPAC4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine
SMILESFc1ccccc1OCCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C12H9Cl2FN2O/c13-10-7-11(14)17-12(16-10)5-6-18-9-4-2-1-3-8(9)15/h1-4,7H,5-6H2
InChIKeyMNUFBGFYELEULL-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.54
Rot. Bonds4

About 4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine

4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine (PubChem CID 82169669) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine
PubChem CID82169669
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine
SMILESFc1ccccc1OCCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C12H9Cl2FN2O/c13-10-7-11(14)17-12(16-10)5-6-18-9-4-2-1-3-8(9)15/h1-4,7H,5-6H2
InChIKeyMNUFBGFYELEULL-UHFFFAOYSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[2-(2-methylphenoxy)ethyl]pyrimidine-4-carboxylic acid
CID 82168842
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile
CID 82168405
2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
CID 116519330
4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
CID 82169647
1-fluoro-2-(2-iodoethoxy)benzene
CID 64787952
3-[2-(2-fluorophenoxy)ethyl]-1,2-oxazol-5-amine
CID 82080194
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
4-[2-(2-fluorophenoxy)ethyl]phenol
CID 154643282
4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine
CID 80940071
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine (CID 82169669) is 4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine is Fc1ccccc1OCCc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine?
The InChIKey is MNUFBGFYELEULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c13-10-7-11(14)17-12(16-10)5-6-18-9-4-2-1-3-8(9)15/h1-4,7H,5-6H2.
What are the key properties of 4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine?
4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine has a molecular weight of 287.12 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine is sourced from PubChem (CID 82169669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).