2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

C8H14F3NO2 — CID 104674436

IUPAC2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCNC1CC(OCC(F)(F)F)C1OC
InChIInChI=1S/C8H14F3NO2/c1-12-5-3-6(7(5)13-2)14-4-8(9,10)11/h5-7,12H,3-4H2,1-2H3
InChIKeyUPSIXDAZTFLHRM-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.94
Rot. Bonds4

About 2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (PubChem CID 104674436) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
PubChem CID104674436
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCNC1CC(OCC(F)(F)F)C1OC
InChIInChI=1S/C8H14F3NO2/c1-12-5-3-6(7(5)13-2)14-4-8(9,10)11/h5-7,12H,3-4H2,1-2H3
InChIKeyUPSIXDAZTFLHRM-UHFFFAOYSA-N
XLogP0.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(2,2-difluoroethoxy)-N-propan-2-ylcyclobutan-1-amine
CID 172108694
2-(2,2-difluoroethoxy)-N-propan-2-ylcyclobutan-1-amine
CID 172108835
cis-(1S,2R)-2-(2,2-difluoroethoxy)-N-propan-2-ylcyclobutan-1-amine
CID 172108866
N-methyl-3-(2,2,2-trifluoroethoxy)oxan-4-amine
CID 61754901
3-(2,2-difluoroethoxy)-N-methyloxan-4-amine
CID 82004353
2-ethoxy-N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-amine
CID 102723554
2-Ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-amine
CID 102723555
N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxycyclobutan-1-amine
CID 102723556
2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine
CID 102723558
2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine
CID 102723565
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 102723575
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine
CID 103082727

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (CID 104674436) is 2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is CNC1CC(OCC(F)(F)F)C1OC.
What is the InChIKey of 2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The InChIKey is UPSIXDAZTFLHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-12-5-3-6(7(5)13-2)14-4-8(9,10)11/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine has a molecular weight of 213.20 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is sourced from PubChem (CID 104674436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).