2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine

C9H8ClF3N2O — CID 114562083

IUPAC2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OC2CCC2)nc(Cl)n1
InChIInChI=1S/C9H8ClF3N2O/c10-8-14-6(9(11,12)13)4-7(15-8)16-5-2-1-3-5/h4-5H,1-3H2
InChIKeyWHCMJBPFPPFKSP-UHFFFAOYSA-N
MW252.62 g/mol
LogP3.08
Rot. Bonds2

About 2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine

2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine (PubChem CID 114562083) has the molecular formula C9H8ClF3N2O and a molecular weight of 252.62 g/mol. Its IUPAC name is 2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine
PubChem CID114562083
Molecular FormulaC9H8ClF3N2O
Molecular Weight252.62 g/mol
Exact Mass252.03
IUPAC Name2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OC2CCC2)nc(Cl)n1
InChIInChI=1S/C9H8ClF3N2O/c10-8-14-6(9(11,12)13)4-7(15-8)16-5-2-1-3-5/h4-5H,1-3H2
InChIKeyWHCMJBPFPPFKSP-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine (CID 114562083) is 2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(OC2CCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is WHCMJBPFPPFKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O/c10-8-14-6(9(11,12)13)4-7(15-8)16-5-2-1-3-5/h4-5H,1-3H2.
What are the key properties of 2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine?
2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 252.62 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclobutyloxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).