2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine

C13H14F5NO2 — CID 104676380

IUPAC2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H14F5NO2/c1-3-20-12-5(19-2)4-6(12)21-13-10(17)8(15)7(14)9(16)11(13)18/h5-6,12,19H,3-4H2,1-2H3
InChIKeyYKXZJQNETCUDTB-UHFFFAOYSA-N
MW311.25 g/mol
LogP2.53
Rot. Bonds5

About 2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine

2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine (PubChem CID 104676380) has the molecular formula C13H14F5NO2 and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine
PubChem CID104676380
Molecular FormulaC13H14F5NO2
Molecular Weight311.25 g/mol
Exact Mass311.09
IUPAC Name2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H14F5NO2/c1-3-20-12-5(19-2)4-6(12)21-13-10(17)8(15)7(14)9(16)11(13)18/h5-6,12,19H,3-4H2,1-2H3
InChIKeyYKXZJQNETCUDTB-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-ethoxycyclobutyl)oxy-2,3,4,5,6-pentafluorobenzene
CID 104675732
2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 104676046
3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676021
3-(2,5-difluoro-4-nitrophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676512
3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104675939
N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine
CID 107943604
2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine
CID 104676142
3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676317
3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676314
N-methyl-2-propoxy-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine
CID 107943502
2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine
CID 104676149
2-ethoxy-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-one
CID 104675174

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine?
The IUPAC name of 2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine (CID 104676380) is 2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine is CCOC1C(NC)CC1Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine?
The InChIKey is YKXZJQNETCUDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5NO2/c1-3-20-12-5(19-2)4-6(12)21-13-10(17)8(15)7(14)9(16)11(13)18/h5-6,12,19H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine?
2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine has a molecular weight of 311.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 104676380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).