N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine

C10H14F3N3 — CID 64567627

IUPACN-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cnccn1
InChIInChI=1S/C10H14F3N3/c1-2-15-8(3-4-10(11,12)13)9-7-14-5-6-16-9/h5-8,15H,2-4H2,1H3
InChIKeyKVILTOFRQMQUCD-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.47
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine

N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine (PubChem CID 64567627) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine
PubChem CID64567627
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC NameN-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cnccn1
InChIInChI=1S/C10H14F3N3/c1-2-15-8(3-4-10(11,12)13)9-7-14-5-6-16-9/h5-8,15H,2-4H2,1H3
InChIKeyKVILTOFRQMQUCD-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine (CID 64567627) is N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine is CCNC(CCC(F)(F)F)c1cnccn1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is KVILTOFRQMQUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-2-15-8(3-4-10(11,12)13)9-7-14-5-6-16-9/h5-8,15H,2-4H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine?
N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 233.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 64567627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).