2-chloro-5-ethoxy-1,3-difluorobenzene

C8H7ClF2O — CID 118847384

IUPAC2-chloro-5-ethoxy-1,3-difluorobenzene
SMILESCCOc1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C8H7ClF2O/c1-2-12-5-3-6(10)8(9)7(11)4-5/h3-4H,2H2,1H3
InChIKeyLMGINBIVYKFFJW-UHFFFAOYSA-N
MW192.59 g/mol
LogP3.02
Rot. Bonds2

About 2-chloro-5-ethoxy-1,3-difluorobenzene

2-chloro-5-ethoxy-1,3-difluorobenzene (PubChem CID 118847384) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is 2-chloro-5-ethoxy-1,3-difluorobenzene.

Molecular Properties

Compound Name2-chloro-5-ethoxy-1,3-difluorobenzene
PubChem CID118847384
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name2-chloro-5-ethoxy-1,3-difluorobenzene
SMILESCCOc1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C8H7ClF2O/c1-2-12-5-3-6(10)8(9)7(11)4-5/h3-4H,2H2,1H3
InChIKeyLMGINBIVYKFFJW-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.59
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxy-2,6-difluorophenyl)acetonitrile
CID 46737617
2-[2-(4-chloro-3,5-difluorophenyl)ethyl]-6-(4-ethoxy-2,6-difluorophenyl)-1-fluoronaphthalene
CID 139874921
1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene
CID 171367314
1-bromo-2,3-dichloro-5-ethoxybenzene
CID 171032896
CID 90889125
CID 90889125
2-(4-ethoxy-2-fluorophenyl)acetonitrile
CID 84767796
5-ethoxy-1,3-difluoro-2-[(E)-2-nitrosoethenyl]benzene
CID 144851540
1-chloro-4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorobenzene
CID 67858430
4-ethoxy-2-fluoro-6-hydroxybenzonitrile
CID 131422202
4-ethoxy-2-fluoro-N-methylaniline
CID 68515674
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
2-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethoxy-1,3-difluorobenzene?
The IUPAC name of 2-chloro-5-ethoxy-1,3-difluorobenzene (CID 118847384) is 2-chloro-5-ethoxy-1,3-difluorobenzene.
What is the SMILES notation for 2-chloro-5-ethoxy-1,3-difluorobenzene?
The canonical SMILES for 2-chloro-5-ethoxy-1,3-difluorobenzene is CCOc1cc(F)c(Cl)c(F)c1.
What is the InChIKey of 2-chloro-5-ethoxy-1,3-difluorobenzene?
The InChIKey is LMGINBIVYKFFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O/c1-2-12-5-3-6(10)8(9)7(11)4-5/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-5-ethoxy-1,3-difluorobenzene?
2-chloro-5-ethoxy-1,3-difluorobenzene has a molecular weight of 192.59 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethoxy-1,3-difluorobenzene is sourced from PubChem (CID 118847384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).