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

C5ClF5N2 — CID 3057449

IUPAC5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine
SMILESFc1nc(F)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C5ClF5N2/c6-1-2(5(9,10)11)12-4(8)13-3(1)7
InChIKeyLTRDQYKIIGULAQ-UHFFFAOYSA-N
MW218.51 g/mol
LogP2.43
Rot. Bonds

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

5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine (PubChem CID 3057449) has the molecular formula C5ClF5N2 and a molecular weight of 218.51 g/mol. Its IUPAC name is 5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine
PubChem CID3057449
Molecular FormulaC5ClF5N2
Molecular Weight218.51 g/mol
Exact Mass217.97
IUPAC Name5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine
SMILESFc1nc(F)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C5ClF5N2/c6-1-2(5(9,10)11)12-4(8)13-3(1)7
InChIKeyLTRDQYKIIGULAQ-UHFFFAOYSA-N
XLogP2.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.51
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine
CID 13026342
5-chloro-2,4,6-trifluoropyrimidine;methane
CID 162065377
3,4,6-trichloro-2-(trifluoromethyl)pyridine
CID 171506095
2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine
CID 12702314
1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
CID 88805355
4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine
CID 118799997
4-chloro-2,6-difluoro-5-methylpyrimidine
CID 18981191
3,5-dichloro-2,6-difluoro-4-methylpyridine
CID 54345490
2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 10846987
6-chloro-3-(trifluoromethyl)pyrazin-2-amine
CID 134818825
5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine
CID 15395099
4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine
CID 13086910

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine (CID 3057449) is 5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine is Fc1nc(F)c(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine?
The InChIKey is LTRDQYKIIGULAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5ClF5N2/c6-1-2(5(9,10)11)12-4(8)13-3(1)7.
What are the key properties of 5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine?
5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine has a molecular weight of 218.51 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 3057449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).