5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine

C11H7F4N3 — CID 107289625

IUPAC5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H7F4N3/c12-8-2-1-6(3-7(8)11(13,14)15)9-4-18-10(16)5-17-9/h1-5H,(H2,16,18)
InChIKeyIQTQUTLVJDHNLV-UHFFFAOYSA-N
MW257.19 g/mol
LogP2.88
Rot. Bonds1

About 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine

5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 107289625) has the molecular formula C11H7F4N3 and a molecular weight of 257.19 g/mol. Its IUPAC name is 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID107289625
Molecular FormulaC11H7F4N3
Molecular Weight257.19 g/mol
Exact Mass257.06
IUPAC Name5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H7F4N3/c12-8-2-1-6(3-7(8)11(13,14)15)9-4-18-10(16)5-17-9/h1-5H,(H2,16,18)
InChIKeyIQTQUTLVJDHNLV-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
CID 130181966
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 25184302
6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 107290545
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 66823352
6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
CID 107290566
2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 107290535
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117367114
2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289630
5-[4-[2-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]pyrazin-2-amine
CID 122525626
2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine
CID 116642403

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 107289625) is 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(F)c(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is IQTQUTLVJDHNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3/c12-8-2-1-6(3-7(8)11(13,14)15)9-4-18-10(16)5-17-9/h1-5H,(H2,16,18).
What are the key properties of 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine?
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 257.19 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 107289625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).