4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine

C8H5ClF6N2OS — CID 102722111

IUPAC4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C8H5ClF6N2OS/c1-19-6-16-3(9)2-4(17-6)18-5(7(10,11)12)8(13,14)15/h2,5H,1H3
InChIKeyBGPNYRKMALGZFC-UHFFFAOYSA-N
MW326.65 g/mol
LogP3.72
Rot. Bonds3

About 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine

4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine (PubChem CID 102722111) has the molecular formula C8H5ClF6N2OS and a molecular weight of 326.65 g/mol. Its IUPAC name is 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine
PubChem CID102722111
Molecular FormulaC8H5ClF6N2OS
Molecular Weight326.65 g/mol
Exact Mass325.97
IUPAC Name4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C8H5ClF6N2OS/c1-19-6-16-3(9)2-4(17-6)18-5(7(10,11)12)8(13,14)15/h2,5H,1H3
InChIKeyBGPNYRKMALGZFC-UHFFFAOYSA-N
XLogP3.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.65
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine (CID 102722111) is 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine?
The InChIKey is BGPNYRKMALGZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF6N2OS/c1-19-6-16-3(9)2-4(17-6)18-5(7(10,11)12)8(13,14)15/h2,5H,1H3.
What are the key properties of 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine?
4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine has a molecular weight of 326.65 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 102722111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).