1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C9H16F3NO2 — CID 103148093

IUPAC1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCOC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-15-4-2-8(13)7-1-3-14-5-7/h7-8H,1-6,13H2
InChIKeyJTVKARNFYKEJTG-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.32
Rot. Bonds5

About 1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148093) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148093
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCOC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-15-4-2-8(13)7-1-3-14-5-7/h7-8H,1-6,13H2
InChIKeyJTVKARNFYKEJTG-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

1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215269
[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217487
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
CID 104748684
1-(oxolan-3-yl)butan-1-amine
CID 63564938
3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 106468961
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935479
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490796
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148093) is 1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is NC(CCOCC(F)(F)F)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is JTVKARNFYKEJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)6-15-4-2-8(13)7-1-3-14-5-7/h7-8H,1-6,13H2.
What are the key properties of 1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine 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 1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).