4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine

C6H3F5N2O — CID 23235417

IUPAC4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(F)c(C(F)(F)F)c(F)n1
InChIInChI=1S/C6H3F5N2O/c1-14-5-12-3(7)2(4(8)13-5)6(9,10)11/h1H3
InChIKeyIFEZKVSHJAQRRQ-UHFFFAOYSA-N
MW214.09 g/mol
LogP1.78
Rot. Bonds1

About 4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine

4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine (PubChem CID 23235417) has the molecular formula C6H3F5N2O and a molecular weight of 214.09 g/mol. Its IUPAC name is 4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine
PubChem CID23235417
Molecular FormulaC6H3F5N2O
Molecular Weight214.09 g/mol
Exact Mass214.02
IUPAC Name4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(F)c(C(F)(F)F)c(F)n1
InChIInChI=1S/C6H3F5N2O/c1-14-5-12-3(7)2(4(8)13-5)6(9,10)11/h1H3
InChIKeyIFEZKVSHJAQRRQ-UHFFFAOYSA-N
XLogP1.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 178173665
6-fluoro-4-methoxy-5-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 13391606
2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine
CID 101034461
5-fluoro-2,4,6-trimethoxypyrimidine
CID 71349957
propyl 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylate
CID 178173663
4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine
CID 156702028
methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate
CID 178173662
4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine
CID 163460917
2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
CID 156732790
benzyl 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylate
CID 178173657
3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369983
2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine
CID 102722071

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine (CID 23235417) is 4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine is COc1nc(F)c(C(F)(F)F)c(F)n1.
What is the InChIKey of 4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is IFEZKVSHJAQRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5N2O/c1-14-5-12-3(7)2(4(8)13-5)6(9,10)11/h1H3.
What are the key properties of 4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine?
4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 214.09 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 23235417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).