1-(2,5-difluorophenyl)-N-ethoxymethanamine

C9H11F2NO — CID 60970416

IUPAC1-(2,5-difluorophenyl)-N-ethoxymethanamine
SMILESCCONCc1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO/c1-2-13-12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyOZFVVGKMQIKFFI-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.01
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N-ethoxymethanamine

1-(2,5-difluorophenyl)-N-ethoxymethanamine (PubChem CID 60970416) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-ethoxymethanamine
PubChem CID60970416
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(2,5-difluorophenyl)-N-ethoxymethanamine
SMILESCCONCc1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO/c1-2-13-12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyOZFVVGKMQIKFFI-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-ethoxymethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-ethoxymethanamine (CID 60970416) is 1-(2,5-difluorophenyl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-ethoxymethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-ethoxymethanamine is CCONCc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-ethoxymethanamine?
The InChIKey is OZFVVGKMQIKFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-2-13-12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-ethoxymethanamine?
1-(2,5-difluorophenyl)-N-ethoxymethanamine has a molecular weight of 187.19 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-ethoxymethanamine is sourced from PubChem (CID 60970416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).