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

C9H16F3NO2 — CID 63220134

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
SMILESNC1(CCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-6-3-8(13)1-4-14-5-2-8/h1-7,13H2
InChIKeyRFFNBXADZXYQIR-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.46
Rot. Bonds4

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

4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine (PubChem CID 63220134) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
PubChem CID63220134
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
SMILESNC1(CCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-6-3-8(13)1-4-14-5-2-8/h1-7,13H2
InChIKeyRFFNBXADZXYQIR-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
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-(Trifluoromethyl)oxan-4-amine
CID 50989637
4-(Trifluoromethyl)oxan-4-amine hydrochloride
CID 54595883
4-(Difluoromethyl)oxan-4-amine hydrochloride
CID 132327791
3-Ethyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 62620907
3-Methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 62621834
4-(Difluoromethyl)tetrahydro-2H-pyran-4-amine
CID 80604421
4-(1,1-Difluoroethyl)oxan-4-amine
CID 84764909
4-(2,2,2-Trifluoroethyl)oxan-4-amine
CID 105440416
4-(2,2,2-Trifluoroethoxymethyl)oxan-4-amine
CID 106706455
1-Methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 115003128
4-(2,2-Difluoroethyl)oxan-4-amine
CID 115013018
4-(2,2,2-Trifluoroethyl)oxan-4-amine hydrochloride
CID 146049992

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine (CID 63220134) is 4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine is NC1(CCOCC(F)(F)F)CCOCC1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
The InChIKey is RFFNBXADZXYQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)7-15-6-3-8(13)1-4-14-5-2-8/h1-7,13H2.
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine?
4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine has a molecular weight of 227.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 63220134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).