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

C9H16F3NO2 — CID 62725318

IUPAC[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine
SMILESNCC1(CCOCC(F)(F)F)CCOC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-4-2-8(5-13)1-3-14-6-8/h1-7,13H2
InChIKeyJTJFEIGWBLOXDC-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.32
Rot. Bonds5

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

[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine (PubChem CID 62725318) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is [3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine
PubChem CID62725318
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine
SMILESNCC1(CCOCC(F)(F)F)CCOC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-4-2-8(5-13)1-3-14-6-8/h1-7,13H2
InChIKeyJTJFEIGWBLOXDC-UHFFFAOYSA-N
XLogP1.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.32
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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Related Compounds

[4-(Difluoromethoxymethyl)oxan-4-yl]methanamine
CID 130194717
2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 62718369
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 62718672
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 62719374
3-Furanmethanamine, tetrahydro-N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-
CID 62720272
[3-[3-(2,2,2-Trifluoroethoxy)propyl]oxolan-3-yl]methanamine
CID 62725716
[4-[2-(2,2,2-Trifluoroethoxy)ethyl]oxan-4-yl]methanamine
CID 62906084
[3-(2,2-Difluoroethyl)oxolan-3-yl]methanamine
CID 105432606
[3-(2,2,2-Trifluoroethoxymethyl)oxolan-3-yl]methanamine
CID 106705980
[4-(2,2,2-Trifluoroethoxymethyl)oxan-4-yl]methanamine
CID 106706050
[2-Methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine
CID 106706222
[2-Methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine
CID 114534057

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine (CID 62725318) is [3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine is NCC1(CCOCC(F)(F)F)CCOC1.
What is the InChIKey of [3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine?
The InChIKey is JTJFEIGWBLOXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)7-15-4-2-8(5-13)1-3-14-6-8/h1-7,13H2.
What are the key properties of [3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine?
[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine has a molecular weight of 227.23 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 62725318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).