3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine

C11H9F2N3O — CID 112559134

IUPAC3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
SMILESNc1nccnc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H9F2N3O/c12-11(13)17-8-3-1-7(2-4-8)9-10(14)16-6-5-15-9/h1-6,11H,(H2,14,16)
InChIKeyKUFRFUQLLWDRDO-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.33
Rot. Bonds3

About 3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine

3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine (PubChem CID 112559134) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
PubChem CID112559134
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
SMILESNc1nccnc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H9F2N3O/c12-11(13)17-8-3-1-7(2-4-8)9-10(14)16-6-5-15-9/h1-6,11H,(H2,14,16)
InChIKeyKUFRFUQLLWDRDO-UHFFFAOYSA-N
XLogP2.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine
CID 115914318
4-(difluoromethoxy)aniline
CID 737363
5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
CID 62225201
4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole
CID 156627007
4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine
CID 62082904
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine
CID 43158134
3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 28603394
4-[4-(difluoromethoxy)phenoxy]aniline
CID 71414941
2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
CID 19436135
4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 90440285
5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine
CID 43145511

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine (CID 112559134) is 3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine is Nc1nccnc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
The InChIKey is KUFRFUQLLWDRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c12-11(13)17-8-3-1-7(2-4-8)9-10(14)16-6-5-15-9/h1-6,11H,(H2,14,16).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine?
3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine has a molecular weight of 237.21 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 112559134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).