1-(trifluoromethyl)phthalazine

C9H5F3N2 — CID 72771033

IUPAC1-(trifluoromethyl)phthalazine
SMILESFC(F)(F)c1nncc2ccccc12
InChIInChI=1S/C9H5F3N2/c10-9(11,12)8-7-4-2-1-3-6(7)5-13-14-8/h1-5H
InChIKeyHAJCECQKUWTUCS-UHFFFAOYSA-N
MW198.15 g/mol
LogP2.65
Rot. Bonds

About 1-(trifluoromethyl)phthalazine

1-(trifluoromethyl)phthalazine (PubChem CID 72771033) has the molecular formula C9H5F3N2 and a molecular weight of 198.15 g/mol. Its IUPAC name is 1-(trifluoromethyl)phthalazine.

Molecular Properties

Compound Name1-(trifluoromethyl)phthalazine
PubChem CID72771033
Molecular FormulaC9H5F3N2
Molecular Weight198.15 g/mol
Exact Mass198.04
IUPAC Name1-(trifluoromethyl)phthalazine
SMILESFC(F)(F)c1nncc2ccccc12
InChIInChI=1S/C9H5F3N2/c10-9(11,12)8-7-4-2-1-3-6(7)5-13-14-8/h1-5H
InChIKeyHAJCECQKUWTUCS-UHFFFAOYSA-N
XLogP2.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)phthalazine?
The IUPAC name of 1-(trifluoromethyl)phthalazine (CID 72771033) is 1-(trifluoromethyl)phthalazine.
What is the SMILES notation for 1-(trifluoromethyl)phthalazine?
The canonical SMILES for 1-(trifluoromethyl)phthalazine is FC(F)(F)c1nncc2ccccc12.
What is the InChIKey of 1-(trifluoromethyl)phthalazine?
The InChIKey is HAJCECQKUWTUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2/c10-9(11,12)8-7-4-2-1-3-6(7)5-13-14-8/h1-5H.
What are the key properties of 1-(trifluoromethyl)phthalazine?
1-(trifluoromethyl)phthalazine has a molecular weight of 198.15 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)phthalazine is sourced from PubChem (CID 72771033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).