[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine

C10H18F3NO — CID 65194243

IUPAC[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-15-6-2-5-9(7-14)3-1-4-9/h1-8,14H2
InChIKeyQPOKWVOQESWZEF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds6

About [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine

[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine (PubChem CID 65194243) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine
PubChem CID65194243
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-15-6-2-5-9(7-14)3-1-4-9/h1-8,14H2
InChIKeyQPOKWVOQESWZEF-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine (CID 65194243) is [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine is NCC1(CCCOCC(F)(F)F)CCC1.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine?
The InChIKey is QPOKWVOQESWZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)8-15-6-2-5-9(7-14)3-1-4-9/h1-8,14H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine?
[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine is sourced from PubChem (CID 65194243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).