3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine

C10H19F2NO2 — CID 104674990

IUPAC3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCC(F)F)C1OC
InChIInChI=1S/C10H19F2NO2/c1-3-4-13-7-5-8(10(7)14-2)15-6-9(11)12/h7-10,13H,3-6H2,1-2H3
InChIKeyRQPPIQPCWRMZHS-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.42
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine

3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine (PubChem CID 104674990) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine
PubChem CID104674990
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCC(F)F)C1OC
InChIInChI=1S/C10H19F2NO2/c1-3-4-13-7-5-8(10(7)14-2)15-6-9(11)12/h7-10,13H,3-6H2,1-2H3
InChIKeyRQPPIQPCWRMZHS-UHFFFAOYSA-N
XLogP1.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674725
2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 82003841
3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674893
2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104674532
3-cyclohexyloxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674423
3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104759373
3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine
CID 113365056
3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
CID 114342843
3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine
CID 114110576
3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 114018986
2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine
CID 104674594
N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine
CID 114099390

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine (CID 104674990) is 3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine is CCCNC1CC(OCC(F)F)C1OC.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine?
The InChIKey is RQPPIQPCWRMZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-3-4-13-7-5-8(10(7)14-2)15-6-9(11)12/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine?
3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine has a molecular weight of 223.26 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104674990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).