N-(2,2-difluoroethyl)phthalazin-1-amine

C10H9F2N3 — CID 115407622

IUPACN-(2,2-difluoroethyl)phthalazin-1-amine
SMILESFC(F)CNc1nncc2ccccc12
InChIInChI=1S/C10H9F2N3/c11-9(12)6-13-10-8-4-2-1-3-7(8)5-14-15-10/h1-5,9H,6H2,(H,13,15)
InChIKeyUWFQLBSPMOAWCY-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.31
Rot. Bonds3

About N-(2,2-difluoroethyl)phthalazin-1-amine

N-(2,2-difluoroethyl)phthalazin-1-amine (PubChem CID 115407622) has the molecular formula C10H9F2N3 and a molecular weight of 209.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)phthalazin-1-amine
PubChem CID115407622
Molecular FormulaC10H9F2N3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC NameN-(2,2-difluoroethyl)phthalazin-1-amine
SMILESFC(F)CNc1nncc2ccccc12
InChIInChI=1S/C10H9F2N3/c11-9(12)6-13-10-8-4-2-1-3-7(8)5-14-15-10/h1-5,9H,6H2,(H,13,15)
InChIKeyUWFQLBSPMOAWCY-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine
CID 63966800
2-(phthalazin-1-ylamino)ethanol
CID 2065587
4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine
CID 107159159
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
2-(phthalazin-1-ylamino)acetamide
CID 43395562
1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol
CID 60876634
N-(3-phenylbutyl)phthalazin-1-amine
CID 62986988
N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 60966697
N-(7-methyloctyl)phthalazin-1-amine
CID 107816205
N-tert-butyl-2-(phthalazin-1-ylamino)acetamide
CID 78911728
[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
CID 107232258
3-(phthalazin-1-ylamino)propanoic acid
CID 43419849

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)phthalazin-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)phthalazin-1-amine (CID 115407622) is N-(2,2-difluoroethyl)phthalazin-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)phthalazin-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)phthalazin-1-amine is FC(F)CNc1nncc2ccccc12.
What is the InChIKey of N-(2,2-difluoroethyl)phthalazin-1-amine?
The InChIKey is UWFQLBSPMOAWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3/c11-9(12)6-13-10-8-4-2-1-3-7(8)5-14-15-10/h1-5,9H,6H2,(H,13,15).
What are the key properties of N-(2,2-difluoroethyl)phthalazin-1-amine?
N-(2,2-difluoroethyl)phthalazin-1-amine has a molecular weight of 209.20 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)phthalazin-1-amine is sourced from PubChem (CID 115407622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).