4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine

C14H13F3N2 — CID 126486726

IUPAC4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine
SMILESCC(C)c1ccc(C(F)(F)F)cc1-c1ccnnc1
InChIInChI=1S/C14H13F3N2/c1-9(2)12-4-3-11(14(15,16)17)7-13(12)10-5-6-18-19-8-10/h3-9H,1-2H3
InChIKeyAFUQTUWZZBYXFI-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.29
Rot. Bonds2

About 4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine

4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine (PubChem CID 126486726) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine
PubChem CID126486726
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine
SMILESCC(C)c1ccc(C(F)(F)F)cc1-c1ccnnc1
InChIInChI=1S/C14H13F3N2/c1-9(2)12-4-3-11(14(15,16)17)7-13(12)10-5-6-18-19-8-10/h3-9H,1-2H3
InChIKeyAFUQTUWZZBYXFI-UHFFFAOYSA-N
XLogP4.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine (CID 126486726) is 4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine is CC(C)c1ccc(C(F)(F)F)cc1-c1ccnnc1.
What is the InChIKey of 4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is AFUQTUWZZBYXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-9(2)12-4-3-11(14(15,16)17)7-13(12)10-5-6-18-19-8-10/h3-9H,1-2H3.
What are the key properties of 4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine?
4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 266.27 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 126486726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).