2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine

C14H12ClF3N2O — CID 146470317

IUPAC2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine
SMILESCc1cc(OC(C)C(F)(F)F)ccc1-c1cnc(Cl)cn1
InChIInChI=1S/C14H12ClF3N2O/c1-8-5-10(21-9(2)14(16,17)18)3-4-11(8)12-6-20-13(15)7-19-12/h3-7,9H,1-2H3
InChIKeyDJUSYELABGYNDE-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.44
Rot. Bonds3

About 2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine

2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine (PubChem CID 146470317) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine
PubChem CID146470317
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine
SMILESCc1cc(OC(C)C(F)(F)F)ccc1-c1cnc(Cl)cn1
InChIInChI=1S/C14H12ClF3N2O/c1-8-5-10(21-9(2)14(16,17)18)3-4-11(8)12-6-20-13(15)7-19-12/h3-7,9H,1-2H3
InChIKeyDJUSYELABGYNDE-UHFFFAOYSA-N
XLogP4.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine?
The IUPAC name of 2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine (CID 146470317) is 2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine?
The canonical SMILES for 2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine is Cc1cc(OC(C)C(F)(F)F)ccc1-c1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine?
The InChIKey is DJUSYELABGYNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-8-5-10(21-9(2)14(16,17)18)3-4-11(8)12-6-20-13(15)7-19-12/h3-7,9H,1-2H3.
What are the key properties of 2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine?
2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine has a molecular weight of 316.71 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine is sourced from PubChem (CID 146470317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).