2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine

C9H16F3NO — CID 103274390

IUPAC2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine
SMILESNCCC1(OCCC(F)(F)F)CCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)5-7-14-8(4-6-13)2-1-3-8/h1-7,13H2
InChIKeyJBGHCRCQYPROMJ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.23
Rot. Bonds5

About 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine

2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine (PubChem CID 103274390) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine
PubChem CID103274390
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine
SMILESNCCC1(OCCC(F)(F)F)CCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)5-7-14-8(4-6-13)2-1-3-8/h1-7,13H2
InChIKeyJBGHCRCQYPROMJ-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine?
The IUPAC name of 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine (CID 103274390) is 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine is NCCC1(OCCC(F)(F)F)CCC1.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine?
The InChIKey is JBGHCRCQYPROMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)5-7-14-8(4-6-13)2-1-3-8/h1-7,13H2.
What are the key properties of 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine?
2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine has a molecular weight of 211.23 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine is sourced from PubChem (CID 103274390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).