N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

C11H20F3NO — CID 66350973

IUPACN-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCCNC1CC(OC(C)C(F)(F)F)C1(C)C
InChIInChI=1S/C11H20F3NO/c1-5-15-8-6-9(10(8,3)4)16-7(2)11(12,13)14/h7-9,15H,5-6H2,1-4H3
InChIKeyDMQMFYOGUOHXPT-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds4

About N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (PubChem CID 66350973) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
PubChem CID66350973
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCCNC1CC(OC(C)C(F)(F)F)C1(C)C
InChIInChI=1S/C11H20F3NO/c1-5-15-8-6-9(10(8,3)4)16-7(2)11(12,13)14/h7-9,15H,5-6H2,1-4H3
InChIKeyDMQMFYOGUOHXPT-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (CID 66350973) is N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is CCNC1CC(OC(C)C(F)(F)F)C1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The InChIKey is DMQMFYOGUOHXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-5-15-8-6-9(10(8,3)4)16-7(2)11(12,13)14/h7-9,15H,5-6H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66350973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).