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

C9H16F3NO2 — CID 61490838

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
SMILESFC(F)(F)COCCNC1CCOCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-6-3-13-8-1-4-14-5-2-8/h8,13H,1-7H2
InChIKeyZXTCYTHMJOWOHA-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.33
Rot. Bonds5

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

N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine (PubChem CID 61490838) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
PubChem CID61490838
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
SMILESFC(F)(F)COCCNC1CCOCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-6-3-13-8-1-4-14-5-2-8/h8,13H,1-7H2
InChIKeyZXTCYTHMJOWOHA-UHFFFAOYSA-N
XLogP1.33
TPSA30.49 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 ≤ 51.33
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 N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine (CID 61490838) is N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine is FC(F)(F)COCCNC1CCOCC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
The InChIKey is ZXTCYTHMJOWOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)7-15-6-3-13-8-1-4-14-5-2-8/h8,13H,1-7H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine has a molecular weight of 227.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 61490838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).