3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine

C9H16F3NO2 — CID 106468961

IUPAC3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
SMILESNC1CCOCC1CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-15-3-1-7-5-14-4-2-8(7)13/h7-8H,1-6,13H2
InChIKeyIFSYTSCRSBGOCB-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.32
Rot. Bonds4

About 3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine

3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine (PubChem CID 106468961) 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]oxan-4-amine.

Molecular Properties

Compound Name3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
PubChem CID106468961
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
SMILESNC1CCOCC1CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-15-3-1-7-5-14-4-2-8(7)13/h7-8H,1-6,13H2
InChIKeyIFSYTSCRSBGOCB-UHFFFAOYSA-N
XLogP1.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-(2-propoxyethyl)oxan-4-amine
CID 106469000
3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 106469036
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine
CID 106469054
1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148093
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490796
3-[2-(4-bromophenoxy)ethyl]oxan-4-amine
CID 106468983
3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103059949
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 86850738
3-(2-butoxyethyl)-4-chlorooxane
CID 106471474
3-[2-(trifluoromethoxy)ethyl]oxan-4-ol
CID 106471340
[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217487
2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486880

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
The IUPAC name of 3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine (CID 106468961) is 3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine.
What is the SMILES notation for 3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
The canonical SMILES for 3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine is NC1CCOCC1CCOCC(F)(F)F.
What is the InChIKey of 3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
The InChIKey is IFSYTSCRSBGOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)6-15-3-1-7-5-14-4-2-8(7)13/h7-8H,1-6,13H2.
What are the key properties of 3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine has a molecular weight of 227.23 g/mol, XLogP of 1.32, 4 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]oxan-4-amine is sourced from PubChem (CID 106468961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).