3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

C10H18F3NO — CID 64851107

IUPAC3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC(F)(F)F)C1(C)C
InChIInChI=1S/C10H18F3NO/c1-4-15-8-5-7(9(8,2)3)14-6-10(11,12)13/h7-8,14H,4-6H2,1-3H3
InChIKeyYAIAGTIRQRXVDY-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds4

About 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (PubChem CID 64851107) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
PubChem CID64851107
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC(F)(F)F)C1(C)C
InChIInChI=1S/C10H18F3NO/c1-4-15-8-5-7(9(8,2)3)14-6-10(11,12)13/h7-8,14H,4-6H2,1-3H3
InChIKeyYAIAGTIRQRXVDY-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (CID 64851107) is 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is CCOC1CC(NCC(F)(F)F)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The InChIKey is YAIAGTIRQRXVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-15-8-5-7(9(8,2)3)14-6-10(11,12)13/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is sourced from PubChem (CID 64851107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).