4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine

C11H4ClF5N2S — CID 106768610

IUPAC4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
SMILESFc1ccc(Sc2cc(Cl)nc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C11H4ClF5N2S/c12-8-4-9(19-10(18-8)11(15,16)17)20-5-1-2-6(13)7(14)3-5/h1-4H
InChIKeyFKGKTWHKIVMJSN-UHFFFAOYSA-N
MW326.68 g/mol
LogP4.58
Rot. Bonds2

About 4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine

4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine (PubChem CID 106768610) has the molecular formula C11H4ClF5N2S and a molecular weight of 326.68 g/mol. Its IUPAC name is 4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
PubChem CID106768610
Molecular FormulaC11H4ClF5N2S
Molecular Weight326.68 g/mol
Exact Mass325.97
IUPAC Name4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
SMILESFc1ccc(Sc2cc(Cl)nc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C11H4ClF5N2S/c12-8-4-9(19-10(18-8)11(15,16)17)20-5-1-2-6(13)7(14)3-5/h1-4H
InChIKeyFKGKTWHKIVMJSN-UHFFFAOYSA-N
XLogP4.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.68
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768687
4-chloro-6-(4-nitrophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768660
4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768685
2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile
CID 83077186
2-tert-butyl-4-chloro-6-(4-methylphenyl)sulfanylpyrimidine
CID 80951331
4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 107780733
6-(3,4-dimethylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774896
4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine
CID 106768991
5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 106768733
4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine
CID 106748746
6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine
CID 112724397

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine (CID 106768610) is 4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine is Fc1ccc(Sc2cc(Cl)nc(C(F)(F)F)n2)cc1F.
What is the InChIKey of 4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is FKGKTWHKIVMJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF5N2S/c12-8-4-9(19-10(18-8)11(15,16)17)20-5-1-2-6(13)7(14)3-5/h1-4H.
What are the key properties of 4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 326.68 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).