2-ethyl-1,3-difluoro-4-iodobenzene

C8H7F2I — CID 149278031

IUPAC2-ethyl-1,3-difluoro-4-iodobenzene
SMILESCCc1c(F)ccc(I)c1F
InChIInChI=1S/C8H7F2I/c1-2-5-6(9)3-4-7(11)8(5)10/h3-4H,2H2,1H3
InChIKeyXSKAUTBUXGIHNI-UHFFFAOYSA-N
MW268.04 g/mol
LogP3.13
Rot. Bonds1

About 2-ethyl-1,3-difluoro-4-iodobenzene

2-ethyl-1,3-difluoro-4-iodobenzene (PubChem CID 149278031) has the molecular formula C8H7F2I and a molecular weight of 268.04 g/mol. Its IUPAC name is 2-ethyl-1,3-difluoro-4-iodobenzene.

Molecular Properties

Compound Name2-ethyl-1,3-difluoro-4-iodobenzene
PubChem CID149278031
Molecular FormulaC8H7F2I
Molecular Weight268.04 g/mol
Exact Mass267.96
IUPAC Name2-ethyl-1,3-difluoro-4-iodobenzene
SMILESCCc1c(F)ccc(I)c1F
InChIInChI=1S/C8H7F2I/c1-2-5-6(9)3-4-7(11)8(5)10/h3-4H,2H2,1H3
InChIKeyXSKAUTBUXGIHNI-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.04
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-fluoro-2,4-diiodobenzene
CID 118802109
1-chloro-3-ethyl-2-fluoro-4-iodobenzene
CID 164893690
2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 120840451
1,2,3-trifluoro-4-iodobenzene
CID 2779253
2-ethyl-3,4-difluorophenol
CID 130218632
4-ethyl-3-fluoro-5-iodo-1-benzothiophene
CID 130816872
1-[1-[(2,6-difluoro-3-iodophenyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843374
3-[(2,6-difluoro-3-iodophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 122047064
1-bromo-2-(bromomethyl)-3-fluoro-4-iodobenzene
CID 131331874
1-ethyl-2-fluoronaphthalene
CID 19065482
6-bromo-2-ethyl-3-fluorophenol
CID 130713861
1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene
CID 163849495

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-difluoro-4-iodobenzene?
The IUPAC name of 2-ethyl-1,3-difluoro-4-iodobenzene (CID 149278031) is 2-ethyl-1,3-difluoro-4-iodobenzene.
What is the SMILES notation for 2-ethyl-1,3-difluoro-4-iodobenzene?
The canonical SMILES for 2-ethyl-1,3-difluoro-4-iodobenzene is CCc1c(F)ccc(I)c1F.
What is the InChIKey of 2-ethyl-1,3-difluoro-4-iodobenzene?
The InChIKey is XSKAUTBUXGIHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2I/c1-2-5-6(9)3-4-7(11)8(5)10/h3-4H,2H2,1H3.
What are the key properties of 2-ethyl-1,3-difluoro-4-iodobenzene?
2-ethyl-1,3-difluoro-4-iodobenzene has a molecular weight of 268.04 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-difluoro-4-iodobenzene is sourced from PubChem (CID 149278031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).