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

C10H18F3NO2 — CID 114534057

IUPAC[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8-9(6-14,3-5-16-8)2-4-15-7-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyBKFGKKMZITXZLI-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.71
Rot. Bonds5

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

[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine (PubChem CID 114534057) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is [2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine
PubChem CID114534057
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8-9(6-14,3-5-16-8)2-4-15-7-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyBKFGKKMZITXZLI-UHFFFAOYSA-N
XLogP1.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 [2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine?
The IUPAC name of [2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine (CID 114534057) is [2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine?
The canonical SMILES for [2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine is CC1OCCC1(CN)CCOCC(F)(F)F.
What is the InChIKey of [2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine?
The InChIKey is BKFGKKMZITXZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8-9(6-14,3-5-16-8)2-4-15-7-10(11,12)13/h8H,2-7,14H2,1H3.
What are the key properties of [2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine?
[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine has a molecular weight of 241.25 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 114534057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).