3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine

C12H22F3NO — CID 65169660

IUPAC3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCC(F)(F)F)C1(C)CC
InChIInChI=1S/C12H22F3NO/c1-4-11(3)9(8-10(11)17-5-2)16-7-6-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeySMYHOWFUFMPXRA-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds6

About 3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine (PubChem CID 65169660) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
PubChem CID65169660
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCC(F)(F)F)C1(C)CC
InChIInChI=1S/C12H22F3NO/c1-4-11(3)9(8-10(11)17-5-2)16-7-6-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeySMYHOWFUFMPXRA-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine (CID 65169660) is 3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine is CCOC1CC(NCCC(F)(F)F)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The InChIKey is SMYHOWFUFMPXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-4-11(3)9(8-10(11)17-5-2)16-7-6-12(13,14)15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine is sourced from PubChem (CID 65169660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).