2-(4,4-difluorooxolan-3-yl)ethanamine

C6H11F2NO — CID 84763242

IUPAC2-(4,4-difluorooxolan-3-yl)ethanamine
SMILESNCCC1COCC1(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)4-10-3-5(6)1-2-9/h5H,1-4,9H2
InChIKeyMMSBEWVZRGUAOD-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.62
Rot. Bonds2

About 2-(4,4-difluorooxolan-3-yl)ethanamine

2-(4,4-difluorooxolan-3-yl)ethanamine (PubChem CID 84763242) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(4,4-difluorooxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluorooxolan-3-yl)ethanamine
PubChem CID84763242
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2-(4,4-difluorooxolan-3-yl)ethanamine
SMILESNCCC1COCC1(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)4-10-3-5(6)1-2-9/h5H,1-4,9H2
InChIKeyMMSBEWVZRGUAOD-UHFFFAOYSA-N
XLogP0.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Oxolan-3-yl)ethan-1-amine
CID 22355254
2-Fluoro-2-(oxolan-3-yl)ethan-1-amine hydrochloride
CID 122239796
2,2-Difluoro-2-(oxan-4-yl)ethan-1-amine
CID 57429865
2,2,2-Trifluoro-1-(oxolan-3-yl)ethan-1-amine
CID 63898855
2,2,2-Trifluoro-1-(tetrahydrofuran-3-yl)ethanamine hydrochloride
CID 71743331
2,2-Difluoro-1-(oxolan-3-yl)ethan-1-amine
CID 80604286
4,4,4-Trifluoro-2-(2-methoxyethyl)butan-1-amine
CID 82534530
5,5,5-Trifluoro-3-(methoxymethyl)pentan-1-amine
CID 82534581
5-Methoxy-3-(trifluoromethyl)pentan-1-amine
CID 82534821
2-(3-Fluorooxolan-3-yl)ethanamine
CID 84731106
2-(4-Fluorooxolan-3-yl)ethanamine
CID 84762370
(4,4-Difluorooxolan-3-yl)methanamine
CID 84762483

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorooxolan-3-yl)ethanamine?
The IUPAC name of 2-(4,4-difluorooxolan-3-yl)ethanamine (CID 84763242) is 2-(4,4-difluorooxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluorooxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluorooxolan-3-yl)ethanamine is NCCC1COCC1(F)F.
What is the InChIKey of 2-(4,4-difluorooxolan-3-yl)ethanamine?
The InChIKey is MMSBEWVZRGUAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)4-10-3-5(6)1-2-9/h5H,1-4,9H2.
What are the key properties of 2-(4,4-difluorooxolan-3-yl)ethanamine?
2-(4,4-difluorooxolan-3-yl)ethanamine has a molecular weight of 151.16 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorooxolan-3-yl)ethanamine is sourced from PubChem (CID 84763242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).