2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

C11H20F3NO — CID 66359803

IUPAC2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCCCNC1CC(OCC(F)(F)F)C1(C)C
InChIInChI=1S/C11H20F3NO/c1-4-5-15-8-6-9(10(8,2)3)16-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyJHRNRJGRMUHCMF-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds5

About 2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (PubChem CID 66359803) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
PubChem CID66359803
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCCCNC1CC(OCC(F)(F)F)C1(C)C
InChIInChI=1S/C11H20F3NO/c1-4-5-15-8-6-9(10(8,2)3)16-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyJHRNRJGRMUHCMF-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (CID 66359803) is 2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is CCCNC1CC(OCC(F)(F)F)C1(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The InChIKey is JHRNRJGRMUHCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-5-15-8-6-9(10(8,2)3)16-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is sourced from PubChem (CID 66359803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).