4-(2,2,2-trifluoroethoxy)phthalazin-1-amine

C10H8F3N3O — CID 119085942

IUPAC4-(2,2,2-trifluoroethoxy)phthalazin-1-amine
SMILESNc1nnc(OCC(F)(F)F)c2ccccc12
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)5-17-9-7-4-2-1-3-6(7)8(14)15-16-9/h1-4H,5H2,(H2,14,15)
InChIKeyIEYWIZPZWTUSMM-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.15
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)phthalazin-1-amine

4-(2,2,2-trifluoroethoxy)phthalazin-1-amine (PubChem CID 119085942) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)phthalazin-1-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)phthalazin-1-amine
PubChem CID119085942
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name4-(2,2,2-trifluoroethoxy)phthalazin-1-amine
SMILESNc1nnc(OCC(F)(F)F)c2ccccc12
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)5-17-9-7-4-2-1-3-6(7)8(14)15-16-9/h1-4H,5H2,(H2,14,15)
InChIKeyIEYWIZPZWTUSMM-UHFFFAOYSA-N
XLogP2.15
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Dimethoxyphthalazine
CID 605292
Phthalazine, 1-ethoxy-
CID 3021739
Taloximine
CID 71887
1,4-Diethoxyphthalazine
CID 595769
1,4-Bis(prop-2-en-1-yloxy)phthalazine
CID 6411109
1-Chloro-4-ethoxyphthalazine
CID 21217660
1-[(3,3-Difluorocyclobutyl)methoxy]-4-methylphthalazine
CID 126954556
6-[2-(Trifluoromethyl)phenoxy]pyridazin-3-amine
CID 57821719
1-Methoxy-4-(trifluoromethyl)phthalazine
CID 68021654
7-Methoxy-4-(trifluoromethyl)phthalazin-1-amine
CID 69180931
1-[(2-Methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine
CID 89727757
1-Ethoxy-4-(trifluoromethyl)phthalazine
CID 89984417

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)phthalazin-1-amine?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)phthalazin-1-amine (CID 119085942) is 4-(2,2,2-trifluoroethoxy)phthalazin-1-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)phthalazin-1-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)phthalazin-1-amine is Nc1nnc(OCC(F)(F)F)c2ccccc12.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)phthalazin-1-amine?
The InChIKey is IEYWIZPZWTUSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)5-17-9-7-4-2-1-3-6(7)8(14)15-16-9/h1-4H,5H2,(H2,14,15).
What are the key properties of 4-(2,2,2-trifluoroethoxy)phthalazin-1-amine?
4-(2,2,2-trifluoroethoxy)phthalazin-1-amine has a molecular weight of 243.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)phthalazin-1-amine is sourced from PubChem (CID 119085942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).