3-(trifluoromethyl)oxolan-2-amine

C5H8F3NO — CID 170752739

IUPAC3-(trifluoromethyl)oxolan-2-amine
SMILESNC1OCCC1C(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3-1-2-10-4(3)9/h3-4H,1-2,9H2
InChIKeyGWLCGEIMZIJSKG-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.87
Rot. Bonds

About 3-(trifluoromethyl)oxolan-2-amine

3-(trifluoromethyl)oxolan-2-amine (PubChem CID 170752739) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 3-(trifluoromethyl)oxolan-2-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)oxolan-2-amine
PubChem CID170752739
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name3-(trifluoromethyl)oxolan-2-amine
SMILESNC1OCCC1C(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3-1-2-10-4(3)9/h3-4H,1-2,9H2
InChIKeyGWLCGEIMZIJSKG-UHFFFAOYSA-N
XLogP0.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-Difluorotetrahydrofuran-3-YL)methanamine hydrochloride
CID 126844441
3-Methyl-1-(2,2,2-trifluoroethoxy)butan-1-amine
CID 123923046
(4R)-4-fluoro-4-methyloxolan-2-amine
CID 166750707
2-Methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62505182
1-[4-(Trifluoromethyl)oxolan-3-yl]methanamine
CID 84021569
(4-Fluorooxolan-3-yl)methanamine
CID 84762119
(4,4-Difluorooxolan-3-yl)methanamine
CID 84762483
(2R,3R)-3-methyloxolan-2-amine
CID 145119389
4-Methyloxolan-2-amine
CID 146877722
3-Methyloxolan-2-amine
CID 143112462

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)oxolan-2-amine?
The IUPAC name of 3-(trifluoromethyl)oxolan-2-amine (CID 170752739) is 3-(trifluoromethyl)oxolan-2-amine.
What is the SMILES notation for 3-(trifluoromethyl)oxolan-2-amine?
The canonical SMILES for 3-(trifluoromethyl)oxolan-2-amine is NC1OCCC1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)oxolan-2-amine?
The InChIKey is GWLCGEIMZIJSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)3-1-2-10-4(3)9/h3-4H,1-2,9H2.
What are the key properties of 3-(trifluoromethyl)oxolan-2-amine?
3-(trifluoromethyl)oxolan-2-amine has a molecular weight of 155.12 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)oxolan-2-amine is sourced from PubChem (CID 170752739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).