N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine

C10H11F6N3O — CID 103059537

IUPACN-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine
SMILESCCNc1cnc(COC(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C10H11F6N3O/c1-2-17-7-4-18-6(3-19-7)5-20-8(9(11,12)13)10(14,15)16/h3-4,8H,2,5H2,1H3,(H,17,19)
InChIKeyORTAEGIGYJOWDE-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.92
Rot. Bonds5

About N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine

N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine (PubChem CID 103059537) has the molecular formula C10H11F6N3O and a molecular weight of 303.21 g/mol. Its IUPAC name is N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine
PubChem CID103059537
Molecular FormulaC10H11F6N3O
Molecular Weight303.21 g/mol
Exact Mass303.08
IUPAC NameN-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine
SMILESCCNc1cnc(COC(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C10H11F6N3O/c1-2-17-7-4-18-6(3-19-7)5-20-8(9(11,12)13)10(14,15)16/h3-4,8H,2,5H2,1H3,(H,17,19)
InChIKeyORTAEGIGYJOWDE-UHFFFAOYSA-N
XLogP2.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
CID 103057969
N-ethyl-5-[(2-fluorophenyl)methoxymethyl]pyrazin-2-amine
CID 103059095
N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine
CID 103057962
N-ethyl-5-[[ethyl(methyl)amino]methyl]pyrazin-2-amine
CID 103055585
5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058495
5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059297
N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine
CID 103056326
5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058135
5-(diethylaminomethyl)-N-ethylpyrazin-2-amine
CID 103055417
N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine
CID 103059360
5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059015
2-[[5-(ethylamino)pyrazin-2-yl]methyl-methylamino]ethanol
CID 103055749

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine?
The IUPAC name of N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine (CID 103059537) is N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine is CCNc1cnc(COC(C(F)(F)F)C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine?
The InChIKey is ORTAEGIGYJOWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3O/c1-2-17-7-4-18-6(3-19-7)5-20-8(9(11,12)13)10(14,15)16/h3-4,8H,2,5H2,1H3,(H,17,19).
What are the key properties of N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine?
N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine has a molecular weight of 303.21 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazin-2-amine is sourced from PubChem (CID 103059537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).