N-(2-ethoxyethyl)-2,2-difluoroethanamine

C6H13F2NO — CID 60921493

IUPACN-(2-ethoxyethyl)-2,2-difluoroethanamine
SMILESCCOCCNCC(F)F
InChIInChI=1S/C6H13F2NO/c1-2-10-4-3-9-5-6(7)8/h6,9H,2-5H2,1H3
InChIKeyGWXAJVSYOBGGBV-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.88
Rot. Bonds6

About N-(2-ethoxyethyl)-2,2-difluoroethanamine

N-(2-ethoxyethyl)-2,2-difluoroethanamine (PubChem CID 60921493) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2,2-difluoroethanamine
PubChem CID60921493
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC NameN-(2-ethoxyethyl)-2,2-difluoroethanamine
SMILESCCOCCNCC(F)F
InChIInChI=1S/C6H13F2NO/c1-2-10-4-3-9-5-6(7)8/h6,9H,2-5H2,1H3
InChIKeyGWXAJVSYOBGGBV-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2,2-difluoroethanamine?
The IUPAC name of N-(2-ethoxyethyl)-2,2-difluoroethanamine (CID 60921493) is N-(2-ethoxyethyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-(2-ethoxyethyl)-2,2-difluoroethanamine?
The canonical SMILES for N-(2-ethoxyethyl)-2,2-difluoroethanamine is CCOCCNCC(F)F.
What is the InChIKey of N-(2-ethoxyethyl)-2,2-difluoroethanamine?
The InChIKey is GWXAJVSYOBGGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-2-10-4-3-9-5-6(7)8/h6,9H,2-5H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-2,2-difluoroethanamine?
N-(2-ethoxyethyl)-2,2-difluoroethanamine has a molecular weight of 153.17 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2,2-difluoroethanamine is sourced from PubChem (CID 60921493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).