N-(3,3,3-trifluoropropyl)phthalazin-1-amine

C11H10F3N3 — CID 63227036

IUPACN-(3,3,3-trifluoropropyl)phthalazin-1-amine
SMILESFC(F)(F)CCNc1nncc2ccccc12
InChIInChI=1S/C11H10F3N3/c12-11(13,14)5-6-15-10-9-4-2-1-3-8(9)7-16-17-10/h1-4,7H,5-6H2,(H,15,17)
InChIKeyMBIQTUNMKGNBMX-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.99
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)phthalazin-1-amine

N-(3,3,3-trifluoropropyl)phthalazin-1-amine (PubChem CID 63227036) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)phthalazin-1-amine
PubChem CID63227036
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC NameN-(3,3,3-trifluoropropyl)phthalazin-1-amine
SMILESFC(F)(F)CCNc1nncc2ccccc12
InChIInChI=1S/C11H10F3N3/c12-11(13,14)5-6-15-10-9-4-2-1-3-8(9)7-16-17-10/h1-4,7H,5-6H2,(H,15,17)
InChIKeyMBIQTUNMKGNBMX-UHFFFAOYSA-N
XLogP2.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)phthalazin-1-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)phthalazin-1-amine (CID 63227036) is N-(3,3,3-trifluoropropyl)phthalazin-1-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)phthalazin-1-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)phthalazin-1-amine is FC(F)(F)CCNc1nncc2ccccc12.
What is the InChIKey of N-(3,3,3-trifluoropropyl)phthalazin-1-amine?
The InChIKey is MBIQTUNMKGNBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)5-6-15-10-9-4-2-1-3-8(9)7-16-17-10/h1-4,7H,5-6H2,(H,15,17).
What are the key properties of N-(3,3,3-trifluoropropyl)phthalazin-1-amine?
N-(3,3,3-trifluoropropyl)phthalazin-1-amine has a molecular weight of 241.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)phthalazin-1-amine is sourced from PubChem (CID 63227036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).