3-(2,2,2-trifluoroethoxy)oxan-4-amine

C7H12F3NO2 — CID 61064375

IUPAC3-(2,2,2-trifluoroethoxy)oxan-4-amine
SMILESNC1CCOCC1OCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)4-13-6-3-12-2-1-5(6)11/h5-6H,1-4,11H2
InChIKeyJUAJVTCWLZKGFS-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.68
Rot. Bonds2

About 3-(2,2,2-trifluoroethoxy)oxan-4-amine

3-(2,2,2-trifluoroethoxy)oxan-4-amine (PubChem CID 61064375) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)oxan-4-amine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)oxan-4-amine
PubChem CID61064375
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name3-(2,2,2-trifluoroethoxy)oxan-4-amine
SMILESNC1CCOCC1OCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)4-13-6-3-12-2-1-5(6)11/h5-6H,1-4,11H2
InChIKeyJUAJVTCWLZKGFS-UHFFFAOYSA-N
XLogP0.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxyoxan-4-amine
CID 43608858
rac-(3R,4S)-3-methoxyoxan-4-amine hydrochloride
CID 122235837
trans-4-Amino-3-(methoxy)tetrahydropyran
CID 54857356
1-(1,4-Dioxan-2-yl)propan-1-amine
CID 65351037
3-(2,2,3,3-Tetrafluoropropoxy)oxan-4-amine
CID 61065970
4,4,4-Trifluoro-3-(oxan-2-ylmethoxy)butan-2-amine
CID 61647834
1,1,1-Trifluoro-2-(oxan-2-ylmethoxy)pentan-3-amine
CID 61647835
N-methyl-3-(2,2,2-trifluoroethoxy)oxan-4-amine
CID 61754901
1-(1,4-Dioxan-2-yl)-4,4,4-trifluorobutan-1-amine
CID 65351254
3-(1,1,1-Trifluoropropan-2-yloxy)oxan-4-amine
CID 66275650
3-(2,2-difluoroethoxy)-N-methyloxan-4-amine
CID 82004353
3-(2,2-Difluoroethoxy)oxan-4-amine
CID 82004743

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)oxan-4-amine?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)oxan-4-amine (CID 61064375) is 3-(2,2,2-trifluoroethoxy)oxan-4-amine.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)oxan-4-amine?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)oxan-4-amine is NC1CCOCC1OCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)oxan-4-amine?
The InChIKey is JUAJVTCWLZKGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c8-7(9,10)4-13-6-3-12-2-1-5(6)11/h5-6H,1-4,11H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)oxan-4-amine?
3-(2,2,2-trifluoroethoxy)oxan-4-amine has a molecular weight of 199.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)oxan-4-amine is sourced from PubChem (CID 61064375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).