5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine

C7H4F7N3 — CID 89445361

IUPAC5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine
SMILESNc1cnc(C(F)(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C7H4F7N3/c8-5(6(9,10)11,7(12,13)14)3-1-17-4(15)2-16-3/h1-2H,(H2,15,17)
InChIKeyGFVJDANTDSLBJN-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.35
Rot. Bonds1

About 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine (PubChem CID 89445361) has the molecular formula C7H4F7N3 and a molecular weight of 263.12 g/mol. Its IUPAC name is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine
PubChem CID89445361
Molecular FormulaC7H4F7N3
Molecular Weight263.12 g/mol
Exact Mass263.03
IUPAC Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine
SMILESNc1cnc(C(F)(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C7H4F7N3/c8-5(6(9,10)11,7(12,13)14)3-1-17-4(15)2-16-3/h1-2H,(H2,15,17)
InChIKeyGFVJDANTDSLBJN-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine
CID 135234346
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrazin-2-yl]pyrazine
CID 176747479
pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 67551394
2-N-(2,2,2-trifluoroethyl)pyrazine-2,5-diamine
CID 80651958
pyrazin-2-amine;pyrazine
CID 161386116
2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine
CID 75406253
5-[(S)-trifluoromethylsulfinyl]pyridin-2-amine
CID 124744563
3,6-bis(trifluoromethyl)-1,2,4-triazine
CID 170294965
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine
CID 115523020
6-(1,1-difluoroethyl)pyridine-3,4-diamine
CID 142460928
6-(1,1-difluoroethyl)pyridin-3-amine
CID 84716660

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine (CID 89445361) is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine is Nc1cnc(C(F)(C(F)(F)F)C(F)(F)F)cn1.
What is the InChIKey of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine?
The InChIKey is GFVJDANTDSLBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F7N3/c8-5(6(9,10)11,7(12,13)14)3-1-17-4(15)2-16-3/h1-2H,(H2,15,17).
What are the key properties of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine?
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine has a molecular weight of 263.12 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 89445361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).