3-ethoxy-2-fluoro-5-methoxybenzonitrile

C10H10FNO2 — CID 18444805

IUPAC3-ethoxy-2-fluoro-5-methoxybenzonitrile
SMILESCCOc1cc(OC)cc(C#N)c1F
InChIInChI=1S/C10H10FNO2/c1-3-14-9-5-8(13-2)4-7(6-12)10(9)11/h4-5H,3H2,1-2H3
InChIKeyTXFPWBXJGHFQAM-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.10
Rot. Bonds3

About 3-ethoxy-2-fluoro-5-methoxybenzonitrile

3-ethoxy-2-fluoro-5-methoxybenzonitrile (PubChem CID 18444805) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 3-ethoxy-2-fluoro-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-ethoxy-2-fluoro-5-methoxybenzonitrile
PubChem CID18444805
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name3-ethoxy-2-fluoro-5-methoxybenzonitrile
SMILESCCOc1cc(OC)cc(C#N)c1F
InChIInChI=1S/C10H10FNO2/c1-3-14-9-5-8(13-2)4-7(6-12)10(9)11/h4-5H,3H2,1-2H3
InChIKeyTXFPWBXJGHFQAM-UHFFFAOYSA-N
XLogP2.10
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-fluoro-5-methoxybenzonitrile?
The IUPAC name of 3-ethoxy-2-fluoro-5-methoxybenzonitrile (CID 18444805) is 3-ethoxy-2-fluoro-5-methoxybenzonitrile.
What is the SMILES notation for 3-ethoxy-2-fluoro-5-methoxybenzonitrile?
The canonical SMILES for 3-ethoxy-2-fluoro-5-methoxybenzonitrile is CCOc1cc(OC)cc(C#N)c1F.
What is the InChIKey of 3-ethoxy-2-fluoro-5-methoxybenzonitrile?
The InChIKey is TXFPWBXJGHFQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-3-14-9-5-8(13-2)4-7(6-12)10(9)11/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethoxy-2-fluoro-5-methoxybenzonitrile?
3-ethoxy-2-fluoro-5-methoxybenzonitrile has a molecular weight of 195.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-fluoro-5-methoxybenzonitrile is sourced from PubChem (CID 18444805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).