4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine

C8H9ClF2N2O — CID 82004862

IUPAC4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(COCC(F)F)n1
InChIInChI=1S/C8H9ClF2N2O/c1-5-2-6(9)13-8(12-5)4-14-3-7(10)11/h2,7H,3-4H2,1H3
InChIKeyULKFCKHATPWLEX-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.22
Rot. Bonds4

About 4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine

4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine (PubChem CID 82004862) has the molecular formula C8H9ClF2N2O and a molecular weight of 222.62 g/mol. Its IUPAC name is 4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine
PubChem CID82004862
Molecular FormulaC8H9ClF2N2O
Molecular Weight222.62 g/mol
Exact Mass222.04
IUPAC Name4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(COCC(F)F)n1
InChIInChI=1S/C8H9ClF2N2O/c1-5-2-6(9)13-8(12-5)4-14-3-7(10)11/h2,7H,3-4H2,1H3
InChIKeyULKFCKHATPWLEX-UHFFFAOYSA-N
XLogP2.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine (CID 82004862) is 4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine is Cc1cc(Cl)nc(COCC(F)F)n1.
What is the InChIKey of 4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine?
The InChIKey is ULKFCKHATPWLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O/c1-5-2-6(9)13-8(12-5)4-14-3-7(10)11/h2,7H,3-4H2,1H3.
What are the key properties of 4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine?
4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine has a molecular weight of 222.62 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-difluoroethoxymethyl)-6-methylpyrimidine is sourced from PubChem (CID 82004862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).