2-ethoxy-3,4-difluoroaniline

C8H9F2NO — CID 22118017

IUPAC2-ethoxy-3,4-difluoroaniline
SMILESCCOc1c(N)ccc(F)c1F
InChIInChI=1S/C8H9F2NO/c1-2-12-8-6(11)4-3-5(9)7(8)10/h3-4H,2,11H2,1H3
InChIKeyNUOCJEKHYYUWSR-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.95
Rot. Bonds2

About 2-ethoxy-3,4-difluoroaniline

2-ethoxy-3,4-difluoroaniline (PubChem CID 22118017) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 2-ethoxy-3,4-difluoroaniline.

Molecular Properties

Compound Name2-ethoxy-3,4-difluoroaniline
PubChem CID22118017
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name2-ethoxy-3,4-difluoroaniline
SMILESCCOc1c(N)ccc(F)c1F
InChIInChI=1S/C8H9F2NO/c1-2-12-8-6(11)4-3-5(9)7(8)10/h3-4H,2,11H2,1H3
InChIKeyNUOCJEKHYYUWSR-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
CID 10358364
2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline
CID 62533946
3,4-diethoxy-2-fluoroaniline
CID 13454492
3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline
CID 62533760
2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline
CID 65126930
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181
3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 63933644
3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline
CID 117095722
2-(cyclohexylmethoxy)-3,4-difluoroaniline
CID 62531491
2-ethoxy-1,4-difluoro-3-methoxybenzene
CID 146035302
2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene
CID 164894235
2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline
CID 62533930

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,4-difluoroaniline?
The IUPAC name of 2-ethoxy-3,4-difluoroaniline (CID 22118017) is 2-ethoxy-3,4-difluoroaniline.
What is the SMILES notation for 2-ethoxy-3,4-difluoroaniline?
The canonical SMILES for 2-ethoxy-3,4-difluoroaniline is CCOc1c(N)ccc(F)c1F.
What is the InChIKey of 2-ethoxy-3,4-difluoroaniline?
The InChIKey is NUOCJEKHYYUWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-2-12-8-6(11)4-3-5(9)7(8)10/h3-4H,2,11H2,1H3.
What are the key properties of 2-ethoxy-3,4-difluoroaniline?
2-ethoxy-3,4-difluoroaniline has a molecular weight of 173.16 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,4-difluoroaniline is sourced from PubChem (CID 22118017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).