N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine

C11H13F4N3O — CID 107381478

IUPACN-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESFC(F)C(F)(F)COc1cnc(CNC2CC2)cn1
InChIInChI=1S/C11H13F4N3O/c12-10(13)11(14,15)6-19-9-5-17-8(4-18-9)3-16-7-1-2-7/h4-5,7,10,16H,1-3,6H2
InChIKeyUKNPOAFGOSKQDX-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.01
Rot. Bonds7

About N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine

N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 107381478) has the molecular formula C11H13F4N3O and a molecular weight of 279.24 g/mol. Its IUPAC name is N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID107381478
Molecular FormulaC11H13F4N3O
Molecular Weight279.24 g/mol
Exact Mass279.10
IUPAC NameN-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESFC(F)C(F)(F)COc1cnc(CNC2CC2)cn1
InChIInChI=1S/C11H13F4N3O/c12-10(13)11(14,15)6-19-9-5-17-8(4-18-9)3-16-7-1-2-7/h4-5,7,10,16H,1-3,6H2
InChIKeyUKNPOAFGOSKQDX-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine
CID 107381343
N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106907736
N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381473
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381795
N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382017
N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382024
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382210
4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 62845689
N-[[1-(2,2,2-trifluoroethoxymethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719983
N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine
CID 66449615
[5-(2,2,3,3-tetrafluoropropoxymethyl)pyrazin-2-yl]hydrazine
CID 103061744
2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977260

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine (CID 107381478) is N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine is FC(F)C(F)(F)COc1cnc(CNC2CC2)cn1.
What is the InChIKey of N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is UKNPOAFGOSKQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3O/c12-10(13)11(14,15)6-19-9-5-17-8(4-18-9)3-16-7-1-2-7/h4-5,7,10,16H,1-3,6H2.
What are the key properties of N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 279.24 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107381478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).