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

C11H9F2N3 — CID 112559175

IUPAC3-[4-(difluoromethyl)phenyl]pyrazin-2-amine
SMILESNc1nccnc1-c1ccc(C(F)F)cc1
InChIInChI=1S/C11H9F2N3/c12-10(13)8-3-1-7(2-4-8)9-11(14)16-6-5-15-9/h1-6,10H,(H2,14,16)
InChIKeyUIWBLWGTIUHSAC-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.66
Rot. Bonds2

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

3-[4-(difluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 112559175) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(difluoromethyl)phenyl]pyrazin-2-amine
PubChem CID112559175
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name3-[4-(difluoromethyl)phenyl]pyrazin-2-amine
SMILESNc1nccnc1-c1ccc(C(F)F)cc1
InChIInChI=1S/C11H9F2N3/c12-10(13)8-3-1-7(2-4-8)9-11(14)16-6-5-15-9/h1-6,10H,(H2,14,16)
InChIKeyUIWBLWGTIUHSAC-UHFFFAOYSA-N
XLogP2.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
CID 112559134
5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine
CID 113328551
3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine
CID 115914318
4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine
CID 113328558
4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine
CID 115525260
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 63259809
5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine
CID 115525227
2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine
CID 115525261
4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline
CID 126529174
5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine
CID 134440736
3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine
CID 169124247
4-(difluoromethyl)aniline;ethane
CID 178149856

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 3-[4-(difluoromethyl)phenyl]pyrazin-2-amine (CID 112559175) is 3-[4-(difluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-[4-(difluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 3-[4-(difluoromethyl)phenyl]pyrazin-2-amine is Nc1nccnc1-c1ccc(C(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is UIWBLWGTIUHSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c12-10(13)8-3-1-7(2-4-8)9-11(14)16-6-5-15-9/h1-6,10H,(H2,14,16).
What are the key properties of 3-[4-(difluoromethyl)phenyl]pyrazin-2-amine?
3-[4-(difluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 221.21 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 112559175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).