4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine

C8H9ClF2N2O — CID 170577812

IUPAC4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine
SMILESCCOc1cc(Cl)nc(C(C)(F)F)n1
InChIInChI=1S/C8H9ClF2N2O/c1-3-14-6-4-5(9)12-7(13-6)8(2,10)11/h4H,3H2,1-2H3
InChIKeyJZTFNIOHNMOCNQ-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.64
Rot. Bonds3

About 4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine

4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine (PubChem CID 170577812) has the molecular formula C8H9ClF2N2O and a molecular weight of 222.62 g/mol. Its IUPAC name is 4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine
PubChem CID170577812
Molecular FormulaC8H9ClF2N2O
Molecular Weight222.62 g/mol
Exact Mass222.04
IUPAC Name4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine
SMILESCCOc1cc(Cl)nc(C(C)(F)F)n1
InChIInChI=1S/C8H9ClF2N2O/c1-3-14-6-4-5(9)12-7(13-6)8(2,10)11/h4H,3H2,1-2H3
InChIKeyJZTFNIOHNMOCNQ-UHFFFAOYSA-N
XLogP2.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine
CID 106766587
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine
CID 106766758
4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine
CID 106766638
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
5-(2-tert-butyl-6-chloropyrimidin-4-yl)oxypentan-1-ol
CID 114216648
2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 80948282
4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine
CID 82824807
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
CID 106766872
4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine
CID 23358668
2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
CID 80949300

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine?
The IUPAC name of 4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine (CID 170577812) is 4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine.
What is the SMILES notation for 4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine?
The canonical SMILES for 4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine is CCOc1cc(Cl)nc(C(C)(F)F)n1.
What is the InChIKey of 4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine?
The InChIKey is JZTFNIOHNMOCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O/c1-3-14-6-4-5(9)12-7(13-6)8(2,10)11/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine?
4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine has a molecular weight of 222.62 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine is sourced from PubChem (CID 170577812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).