N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine

C11H16F3N3O — CID 104515915

IUPACN-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1nccnc1OC
InChIInChI=1S/C11H16F3N3O/c1-3-15-8(4-5-11(12,13)14)9-10(18-2)17-7-6-16-9/h6-8,15H,3-5H2,1-2H3
InChIKeySKFFTCXCCILNQW-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.48
Rot. Bonds6

About N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine (PubChem CID 104515915) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine
PubChem CID104515915
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1nccnc1OC
InChIInChI=1S/C11H16F3N3O/c1-3-15-8(4-5-11(12,13)14)9-10(18-2)17-7-6-16-9/h6-8,15H,3-5H2,1-2H3
InChIKeySKFFTCXCCILNQW-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazine, 2-hexyl-3-methoxy
CID 528305
2-Butyl-3-methoxypyrazine
CID 528313
2-Methoxy-3-pentylpyrazine
CID 528321
Pyrazine, 2-decyl-3-methoxy
CID 528301
Pyrazine, 2-heptyl-3-methoxy
CID 528304
Pyrazine, 2-methoxy-3-(4-pentenyl)
CID 528307
Pyrazine, 3-methoxy-2-octyl
CID 528320
1-(3-Methoxypyrazin-2-yl)ethan-1-amine
CID 119094858
1-(3-methoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148360
N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148577
1-(3-methoxypyrazin-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148740
3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 103149316

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine (CID 104515915) is N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine is CCNC(CCC(F)(F)F)c1nccnc1OC.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine?
The InChIKey is SKFFTCXCCILNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-15-8(4-5-11(12,13)14)9-10(18-2)17-7-6-16-9/h6-8,15H,3-5H2,1-2H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine is sourced from PubChem (CID 104515915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).