[4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine

C12H11F2N3O — CID 115860590

IUPAC[4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine
SMILESNC(c1ccc(OC(F)F)cc1)c1cnccn1
InChIInChI=1S/C12H11F2N3O/c13-12(14)18-9-3-1-8(2-4-9)11(15)10-7-16-5-6-17-10/h1-7,11-12H,15H2
InChIKeyJBZZEBQDKCWGGG-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.13
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine

[4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine (PubChem CID 115860590) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine
PubChem CID115860590
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name[4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine
SMILESNC(c1ccc(OC(F)F)cc1)c1cnccn1
InChIInChI=1S/C12H11F2N3O/c13-12(14)18-9-3-1-8(2-4-9)11(15)10-7-16-5-6-17-10/h1-7,11-12H,15H2
InChIKeyJBZZEBQDKCWGGG-UHFFFAOYSA-N
XLogP2.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine
CID 68523327
(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine
CID 115860586
(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 4961731
(4-cyclobutylphenyl)-pyrazin-2-ylmethanamine
CID 116505926
(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 43167241
[4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine
CID 43559147
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
[(4-methoxyphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105190970
(4-propan-2-yloxyphenyl)-pyrimidin-4-ylmethanamine
CID 63990391
(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171225773
(R)-pyrazin-2-yl(quinolin-3-yl)methanamine
CID 93358826
(5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine
CID 115860644

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine?
The IUPAC name of [4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine (CID 115860590) is [4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine is NC(c1ccc(OC(F)F)cc1)c1cnccn1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine?
The InChIKey is JBZZEBQDKCWGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-12(14)18-9-3-1-8(2-4-9)11(15)10-7-16-5-6-17-10/h1-7,11-12H,15H2.
What are the key properties of [4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine?
[4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine has a molecular weight of 251.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine is sourced from PubChem (CID 115860590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).