N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine

C8H15F2NO — CID 80604406

IUPACN-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine
SMILESCCNC(C(F)F)C1CCOC1
InChIInChI=1S/C8H15F2NO/c1-2-11-7(8(9)10)6-3-4-12-5-6/h6-8,11H,2-5H2,1H3
InChIKeyDAAVCDIOKQWKLN-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.27
Rot. Bonds4

About N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine

N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine (PubChem CID 80604406) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine
PubChem CID80604406
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine
SMILESCCNC(C(F)F)C1CCOC1
InChIInChI=1S/C8H15F2NO/c1-2-11-7(8(9)10)6-3-4-12-5-6/h6-8,11H,2-5H2,1H3
InChIKeyDAAVCDIOKQWKLN-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine (CID 80604406) is N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine is CCNC(C(F)F)C1CCOC1.
What is the InChIKey of N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine?
The InChIKey is DAAVCDIOKQWKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-2-11-7(8(9)10)6-3-4-12-5-6/h6-8,11H,2-5H2,1H3.
What are the key properties of N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine?
N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine has a molecular weight of 179.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 80604406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).