6-ethoxy-2,3-difluorobenzonitrile

C9H7F2NO — CID 119017576

IUPAC6-ethoxy-2,3-difluorobenzonitrile
SMILESCCOc1ccc(F)c(F)c1C#N
InChIInChI=1S/C9H7F2NO/c1-2-13-8-4-3-7(10)9(11)6(8)5-12/h3-4H,2H2,1H3
InChIKeyONRJFNBWFGFTQG-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.24
Rot. Bonds2

About 6-ethoxy-2,3-difluorobenzonitrile

6-ethoxy-2,3-difluorobenzonitrile (PubChem CID 119017576) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 6-ethoxy-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name6-ethoxy-2,3-difluorobenzonitrile
PubChem CID119017576
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name6-ethoxy-2,3-difluorobenzonitrile
SMILESCCOc1ccc(F)c(F)c1C#N
InChIInChI=1S/C9H7F2NO/c1-2-13-8-4-3-7(10)9(11)6(8)5-12/h3-4H,2H2,1H3
InChIKeyONRJFNBWFGFTQG-UHFFFAOYSA-N
XLogP2.24
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Benzyloxybenzonitrile
CID 561371
4-Methoxybenzonitrile
CID 70129
(2-Methoxybenzylidene)malononitrile
CID 17813
2H-1-Benzopyran-3-carbonitrile
CID 42438
3-Methoxybenzonitrile
CID 73712
Allyl o-tolyl ether
CID 136749
3-(Benzyloxy)benzonitrile
CID 561329
6-methoxy-2H-chromene-3-carbonitrile
CID 42440
2-Ethoxybenzonitrile
CID 576922
2-[4-(Difluoromethoxy)phenyl]acetonitrile
CID 2737018
(2-Methoxyphenyl)acetonitrile
CID 81496
4-(4-Fluorophenoxy)benzonitrile
CID 1490284

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,3-difluorobenzonitrile?
The IUPAC name of 6-ethoxy-2,3-difluorobenzonitrile (CID 119017576) is 6-ethoxy-2,3-difluorobenzonitrile.
What is the SMILES notation for 6-ethoxy-2,3-difluorobenzonitrile?
The canonical SMILES for 6-ethoxy-2,3-difluorobenzonitrile is CCOc1ccc(F)c(F)c1C#N.
What is the InChIKey of 6-ethoxy-2,3-difluorobenzonitrile?
The InChIKey is ONRJFNBWFGFTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c1-2-13-8-4-3-7(10)9(11)6(8)5-12/h3-4H,2H2,1H3.
What are the key properties of 6-ethoxy-2,3-difluorobenzonitrile?
6-ethoxy-2,3-difluorobenzonitrile has a molecular weight of 183.16 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,3-difluorobenzonitrile is sourced from PubChem (CID 119017576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).