4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

C9H10ClF3N2O — CID 80943695

IUPAC4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCCc1nc(Cl)cc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O/c1-3-7-14-6(10)4-8(15-7)16-5(2)9(11,12)13/h4-5H,3H2,1-2H3
InChIKeyHISAMNVXUWGCDX-UHFFFAOYSA-N
MW254.64 g/mol
LogP3.02
Rot. Bonds3

About 4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (PubChem CID 80943695) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
PubChem CID80943695
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCCc1nc(Cl)cc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O/c1-3-7-14-6(10)4-8(15-7)16-5(2)9(11,12)13/h4-5H,3H2,1-2H3
InChIKeyHISAMNVXUWGCDX-UHFFFAOYSA-N
XLogP3.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (CID 80943695) is 4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is CCc1nc(Cl)cc(OC(C)C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The InChIKey is HISAMNVXUWGCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c1-3-7-14-6(10)4-8(15-7)16-5(2)9(11,12)13/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine has a molecular weight of 254.64 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is sourced from PubChem (CID 80943695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).