[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine

C10H18F3NO2 — CID 62725716

IUPAC[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-15-4-1-2-9(6-14)3-5-16-7-9/h1-8,14H2
InChIKeyLCQMAUKOFXLYLV-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.71
Rot. Bonds6

About [3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine

[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine (PubChem CID 62725716) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is [3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine
PubChem CID62725716
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-15-4-1-2-9(6-14)3-5-16-7-9/h1-8,14H2
InChIKeyLCQMAUKOFXLYLV-UHFFFAOYSA-N
XLogP1.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine (CID 62725716) is [3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine is NCC1(CCCOCC(F)(F)F)CCOC1.
What is the InChIKey of [3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine?
The InChIKey is LCQMAUKOFXLYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8-15-4-1-2-9(6-14)3-5-16-7-9/h1-8,14H2.
What are the key properties of [3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine?
[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine has a molecular weight of 241.25 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 62725716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).