1-chloro-4-ethoxy-3-fluoro-2-iodobenzene

C8H7ClFIO — CID 164894138

IUPAC1-chloro-4-ethoxy-3-fluoro-2-iodobenzene
SMILESCCOc1ccc(Cl)c(I)c1F
InChIInChI=1S/C8H7ClFIO/c1-2-12-6-4-3-5(9)8(11)7(6)10/h3-4H,2H2,1H3
InChIKeyDFXAQFSIUMUZPR-UHFFFAOYSA-N
MW300.50 g/mol
LogP3.48
Rot. Bonds2

About 1-chloro-4-ethoxy-3-fluoro-2-iodobenzene

1-chloro-4-ethoxy-3-fluoro-2-iodobenzene (PubChem CID 164894138) has the molecular formula C8H7ClFIO and a molecular weight of 300.50 g/mol. Its IUPAC name is 1-chloro-4-ethoxy-3-fluoro-2-iodobenzene.

Molecular Properties

Compound Name1-chloro-4-ethoxy-3-fluoro-2-iodobenzene
PubChem CID164894138
Molecular FormulaC8H7ClFIO
Molecular Weight300.50 g/mol
Exact Mass299.92
IUPAC Name1-chloro-4-ethoxy-3-fluoro-2-iodobenzene
SMILESCCOc1ccc(Cl)c(I)c1F
InChIInChI=1S/C8H7ClFIO/c1-2-12-6-4-3-5(9)8(11)7(6)10/h3-4H,2H2,1H3
InChIKeyDFXAQFSIUMUZPR-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-4-ethoxy-2-iodobenzene
CID 171008192
1-ethoxy-2-fluoro-4-iodo-3-methylbenzene
CID 164891728
2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid
CID 18444833
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
(2,6-dichloro-3-ethoxyphenyl)methanamine
CID 130863445
1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
CID 130752787
(3,6-diethoxy-2-fluorophenyl)methanol
CID 164895475
(4-ethoxy-2,3-difluorophenoxy)-oxoborane
CID 139945985
(4-ethoxy-2,3-difluorophenyl)-trimethylsilane
CID 15751975
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221
2-chloro-1-ethoxy-3-fluoro-4-nitrobenzene
CID 125116419

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethoxy-3-fluoro-2-iodobenzene?
The IUPAC name of 1-chloro-4-ethoxy-3-fluoro-2-iodobenzene (CID 164894138) is 1-chloro-4-ethoxy-3-fluoro-2-iodobenzene.
What is the SMILES notation for 1-chloro-4-ethoxy-3-fluoro-2-iodobenzene?
The canonical SMILES for 1-chloro-4-ethoxy-3-fluoro-2-iodobenzene is CCOc1ccc(Cl)c(I)c1F.
What is the InChIKey of 1-chloro-4-ethoxy-3-fluoro-2-iodobenzene?
The InChIKey is DFXAQFSIUMUZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFIO/c1-2-12-6-4-3-5(9)8(11)7(6)10/h3-4H,2H2,1H3.
What are the key properties of 1-chloro-4-ethoxy-3-fluoro-2-iodobenzene?
1-chloro-4-ethoxy-3-fluoro-2-iodobenzene has a molecular weight of 300.50 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethoxy-3-fluoro-2-iodobenzene is sourced from PubChem (CID 164894138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).