4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine

C9H8F6N2O — CID 138628082

IUPAC4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine
SMILESCc1cc(OCC(F)(F)C(F)C(F)(F)F)ncn1
InChIInChI=1S/C9H8F6N2O/c1-5-2-6(17-4-16-5)18-3-8(11,12)7(10)9(13,14)15/h2,4,7H,3H2,1H3
InChIKeyGACBDOVMMVDEER-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.70
Rot. Bonds4

About 4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine

4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine (PubChem CID 138628082) has the molecular formula C9H8F6N2O and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine
PubChem CID138628082
Molecular FormulaC9H8F6N2O
Molecular Weight274.16 g/mol
Exact Mass274.05
IUPAC Name4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine
SMILESCc1cc(OCC(F)(F)C(F)C(F)(F)F)ncn1
InChIInChI=1S/C9H8F6N2O/c1-5-2-6(17-4-16-5)18-3-8(11,12)7(10)9(13,14)15/h2,4,7H,3H2,1H3
InChIKeyGACBDOVMMVDEER-UHFFFAOYSA-N
XLogP2.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine?
The IUPAC name of 4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine (CID 138628082) is 4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine.
What is the SMILES notation for 4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine?
The canonical SMILES for 4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine is Cc1cc(OCC(F)(F)C(F)C(F)(F)F)ncn1.
What is the InChIKey of 4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine?
The InChIKey is GACBDOVMMVDEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O/c1-5-2-6(17-4-16-5)18-3-8(11,12)7(10)9(13,14)15/h2,4,7H,3H2,1H3.
What are the key properties of 4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine?
4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine has a molecular weight of 274.16 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,4,4,4-hexafluorobutoxy)-6-methylpyrimidine is sourced from PubChem (CID 138628082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).