1-ethyl-4-[fluoro(diiodo)methoxy]benzene

C9H9FI2O — CID 163537570

IUPAC1-ethyl-4-[fluoro(diiodo)methoxy]benzene
SMILESCCc1ccc(OC(F)(I)I)cc1
InChIInChI=1S/C9H9FI2O/c1-2-7-3-5-8(6-4-7)13-9(10,11)12/h3-6H,2H2,1H3
InChIKeyDYHQKHLLRYLCOT-UHFFFAOYSA-N
MW405.98 g/mol
LogP4.08
Rot. Bonds3

About 1-ethyl-4-[fluoro(diiodo)methoxy]benzene

1-ethyl-4-[fluoro(diiodo)methoxy]benzene (PubChem CID 163537570) has the molecular formula C9H9FI2O and a molecular weight of 405.98 g/mol. Its IUPAC name is 1-ethyl-4-[fluoro(diiodo)methoxy]benzene.

Molecular Properties

Compound Name1-ethyl-4-[fluoro(diiodo)methoxy]benzene
PubChem CID163537570
Molecular FormulaC9H9FI2O
Molecular Weight405.98 g/mol
Exact Mass405.87
IUPAC Name1-ethyl-4-[fluoro(diiodo)methoxy]benzene
SMILESCCc1ccc(OC(F)(I)I)cc1
InChIInChI=1S/C9H9FI2O/c1-2-7-3-5-8(6-4-7)13-9(10,11)12/h3-6H,2H2,1H3
InChIKeyDYHQKHLLRYLCOT-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.98
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene
CID 89339417
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene
CID 70176489
1-[1,1-difluoro-3-(4-propylcyclohexyl)propoxy]-4-ethylbenzene
CID 21353157
1-ethyl-4-[4-(trifluoromethylsulfanyl)phenoxy]benzene
CID 22968904
1-ethyl-4-(4-iodophenoxy)benzene
CID 118066756
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[fluoro(diiodo)methoxy]benzene?
The IUPAC name of 1-ethyl-4-[fluoro(diiodo)methoxy]benzene (CID 163537570) is 1-ethyl-4-[fluoro(diiodo)methoxy]benzene.
What is the SMILES notation for 1-ethyl-4-[fluoro(diiodo)methoxy]benzene?
The canonical SMILES for 1-ethyl-4-[fluoro(diiodo)methoxy]benzene is CCc1ccc(OC(F)(I)I)cc1.
What is the InChIKey of 1-ethyl-4-[fluoro(diiodo)methoxy]benzene?
The InChIKey is DYHQKHLLRYLCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FI2O/c1-2-7-3-5-8(6-4-7)13-9(10,11)12/h3-6H,2H2,1H3.
What are the key properties of 1-ethyl-4-[fluoro(diiodo)methoxy]benzene?
1-ethyl-4-[fluoro(diiodo)methoxy]benzene has a molecular weight of 405.98 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[fluoro(diiodo)methoxy]benzene is sourced from PubChem (CID 163537570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).