1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C10H18F3NO2 — CID 103148118

IUPAC1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)7-16-6-3-9(14)8-1-4-15-5-2-8/h8-9H,1-7,14H2
InChIKeyRKWCVBYOUCVWAV-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.71
Rot. Bonds5

About 1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148118) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148118
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)7-16-6-3-9(14)8-1-4-15-5-2-8/h8-9H,1-7,14H2
InChIKeyRKWCVBYOUCVWAV-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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Related Compounds

2,2,2-Trifluoro-1-(tetrahydro-2H-pyran-3-YL)ethanamine
CID 63896810
2,2,2-Trifluoro-1-(oxan-4-yl)ethan-1-amine
CID 63897715
Ethane;2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 153576800
1-(Oxan-4-yl)propan-1-amine
CID 56828166
2-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490659
5-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 62602777
4-[3-(2,2,2-Trifluoroethoxy)propyl]oxan-4-amine
CID 63220228
4-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 63562076
3,3,3-Trifluoro-1-(oxolan-3-yl)propan-1-amine
CID 63562852
3,3,3-trifluoro-1-(tetrahydro-2H-pyran-4-yl)propan-1-amine
CID 63935479
3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine
CID 63935673
N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935674

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148118) is 1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is NC(CCOCC(F)(F)F)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is RKWCVBYOUCVWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)7-16-6-3-9(14)8-1-4-15-5-2-8/h8-9H,1-7,14H2.
What are the key properties of 1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine 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 1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).