2-ethoxy-3-fluorobenzonitrile

C9H8FNO — CID 90422615

IUPAC2-ethoxy-3-fluorobenzonitrile
SMILESCCOc1c(F)cccc1C#N
InChIInChI=1S/C9H8FNO/c1-2-12-9-7(6-11)4-3-5-8(9)10/h3-5H,2H2,1H3
InChIKeyWERLSUXUIBERMU-UHFFFAOYSA-N
MW165.17 g/mol
LogP2.10
Rot. Bonds2

About 2-ethoxy-3-fluorobenzonitrile

2-ethoxy-3-fluorobenzonitrile (PubChem CID 90422615) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-ethoxy-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-ethoxy-3-fluorobenzonitrile
PubChem CID90422615
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-ethoxy-3-fluorobenzonitrile
SMILESCCOc1c(F)cccc1C#N
InChIInChI=1S/C9H8FNO/c1-2-12-9-7(6-11)4-3-5-8(9)10/h3-5H,2H2,1H3
InChIKeyWERLSUXUIBERMU-UHFFFAOYSA-N
XLogP2.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxybenzene-1,3-dicarbonitrile
CID 23083446
2-[[3-tert-butyl-5-[(2-cyano-6-fluorophenoxy)methyl]phenyl]methoxy]-3-fluorobenzonitrile
CID 175756019
methyl 1-[(2-cyano-6-fluorophenoxy)methyl]cyclopropane-1-carboxylate
CID 167963283
N-(2-ethoxy-3-fluorophenyl)formamide
CID 168653296
3,4-diethoxy-2-fluorobenzonitrile
CID 23093717
3-ethoxy-2-sulfanylbenzonitrile
CID 91874372
3-ethoxy-2-prop-2-ynoxybenzonitrile
CID 100585615
2-amino-3-ethoxybenzonitrile
CID 82014474
2-(2-fluorophenoxy)-3-methylbenzonitrile
CID 107107441
3-(ethoxymethyl)-2-fluorobenzonitrile
CID 107115085
3-bromo-2-ethoxy-5-fluorobenzonitrile
CID 100584557
2-(2,2-difluoroethoxy)-3-methylbenzonitrile
CID 107107597

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-fluorobenzonitrile?
The IUPAC name of 2-ethoxy-3-fluorobenzonitrile (CID 90422615) is 2-ethoxy-3-fluorobenzonitrile.
What is the SMILES notation for 2-ethoxy-3-fluorobenzonitrile?
The canonical SMILES for 2-ethoxy-3-fluorobenzonitrile is CCOc1c(F)cccc1C#N.
What is the InChIKey of 2-ethoxy-3-fluorobenzonitrile?
The InChIKey is WERLSUXUIBERMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-2-12-9-7(6-11)4-3-5-8(9)10/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxy-3-fluorobenzonitrile?
2-ethoxy-3-fluorobenzonitrile has a molecular weight of 165.17 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-fluorobenzonitrile is sourced from PubChem (CID 90422615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).