N-(2,2-difluorobutyl)pyridazin-3-amine

C8H11F2N3 — CID 164654648

IUPACN-(2,2-difluorobutyl)pyridazin-3-amine
SMILESCCC(F)(F)CNc1cccnn1
InChIInChI=1S/C8H11F2N3/c1-2-8(9,10)6-11-7-4-3-5-12-13-7/h3-5H,2,6H2,1H3,(H,11,13)
InChIKeyGWHPWCDJRMXAAZ-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.93
Rot. Bonds4

About N-(2,2-difluorobutyl)pyridazin-3-amine

N-(2,2-difluorobutyl)pyridazin-3-amine (PubChem CID 164654648) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is N-(2,2-difluorobutyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluorobutyl)pyridazin-3-amine
PubChem CID164654648
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC NameN-(2,2-difluorobutyl)pyridazin-3-amine
SMILESCCC(F)(F)CNc1cccnn1
InChIInChI=1S/C8H11F2N3/c1-2-8(9,10)6-11-7-4-3-5-12-13-7/h3-5H,2,6H2,1H3,(H,11,13)
InChIKeyGWHPWCDJRMXAAZ-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorobutyl)pyridazin-3-amine?
The IUPAC name of N-(2,2-difluorobutyl)pyridazin-3-amine (CID 164654648) is N-(2,2-difluorobutyl)pyridazin-3-amine.
What is the SMILES notation for N-(2,2-difluorobutyl)pyridazin-3-amine?
The canonical SMILES for N-(2,2-difluorobutyl)pyridazin-3-amine is CCC(F)(F)CNc1cccnn1.
What is the InChIKey of N-(2,2-difluorobutyl)pyridazin-3-amine?
The InChIKey is GWHPWCDJRMXAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-2-8(9,10)6-11-7-4-3-5-12-13-7/h3-5H,2,6H2,1H3,(H,11,13).
What are the key properties of N-(2,2-difluorobutyl)pyridazin-3-amine?
N-(2,2-difluorobutyl)pyridazin-3-amine has a molecular weight of 187.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorobutyl)pyridazin-3-amine is sourced from PubChem (CID 164654648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).