N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine

C12H12F3N3O — CID 60730693

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine
SMILESFC(F)(F)COCCNc1nncc2ccccc12
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)8-19-6-5-16-11-10-4-2-1-3-9(10)7-17-18-11/h1-4,7H,5-6,8H2,(H,16,18)
InChIKeyQHBFJXVBTYJELA-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine (PubChem CID 60730693) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine
PubChem CID60730693
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine
SMILESFC(F)(F)COCCNc1nncc2ccccc12
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)8-19-6-5-16-11-10-4-2-1-3-9(10)7-17-18-11/h1-4,7H,5-6,8H2,(H,16,18)
InChIKeyQHBFJXVBTYJELA-UHFFFAOYSA-N
XLogP2.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Methyl-1-phthalazinyl)amino]ethanol
CID 6408686
US11702418, Example 1-4
CID 156495830
US11702418, Example 1-27
CID 156527542
1-Phthalazinamine, N-(2-methoxyethyl)-, hydrochloride
CID 6410646
1-(Piperazin-1-yl)phthalazine
CID 14581396
1-N,4-N-bis[2-(2-aminoethoxy)ethyl]benzo[g]phthalazine-1,4-diamine
CID 44423694
N-(2-methoxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]phthalazin-1-amine
CID 164618370
2-[[4-[4-(Trifluoromethyl)phenyl]phthalazin-1-yl]amino]ethanol
CID 169259782
N-phthalazin-1-ylacetamide
CID 101919741
N-[(4-fluorophenyl)methyl]phthalazin-1-amine
CID 43395079
(2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine
CID 164632113
2-[[4-[2-(Trifluoromethyl)phenyl]pyridazin-3-yl]amino]ethanol
CID 20246571

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine (CID 60730693) is N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine is FC(F)(F)COCCNc1nncc2ccccc12.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine?
The InChIKey is QHBFJXVBTYJELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)8-19-6-5-16-11-10-4-2-1-3-9(10)7-17-18-11/h1-4,7H,5-6,8H2,(H,16,18).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine has a molecular weight of 271.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]phthalazin-1-amine is sourced from PubChem (CID 60730693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).