3,4-diethoxy-2-fluoroaniline

C10H14FNO2 — CID 13454492

IUPAC3,4-diethoxy-2-fluoroaniline
SMILESCCOc1ccc(N)c(F)c1OCC
InChIInChI=1S/C10H14FNO2/c1-3-13-8-6-5-7(12)9(11)10(8)14-4-2/h5-6H,3-4,12H2,1-2H3
InChIKeyUPCYUUBWAKJWEC-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.21
Rot. Bonds4

About 3,4-diethoxy-2-fluoroaniline

3,4-diethoxy-2-fluoroaniline (PubChem CID 13454492) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3,4-diethoxy-2-fluoroaniline.

Molecular Properties

Compound Name3,4-diethoxy-2-fluoroaniline
PubChem CID13454492
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name3,4-diethoxy-2-fluoroaniline
SMILESCCOc1ccc(N)c(F)c1OCC
InChIInChI=1S/C10H14FNO2/c1-3-13-8-6-5-7(12)9(11)10(8)14-4-2/h5-6H,3-4,12H2,1-2H3
InChIKeyUPCYUUBWAKJWEC-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-2-fluoroaniline?
The IUPAC name of 3,4-diethoxy-2-fluoroaniline (CID 13454492) is 3,4-diethoxy-2-fluoroaniline.
What is the SMILES notation for 3,4-diethoxy-2-fluoroaniline?
The canonical SMILES for 3,4-diethoxy-2-fluoroaniline is CCOc1ccc(N)c(F)c1OCC.
What is the InChIKey of 3,4-diethoxy-2-fluoroaniline?
The InChIKey is UPCYUUBWAKJWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-3-13-8-6-5-7(12)9(11)10(8)14-4-2/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 3,4-diethoxy-2-fluoroaniline?
3,4-diethoxy-2-fluoroaniline has a molecular weight of 199.22 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-2-fluoroaniline is sourced from PubChem (CID 13454492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).