1,4-difluoro-2-(2-iodoethyl)benzene

C8H7F2I — CID 147661564

IUPAC1,4-difluoro-2-(2-iodoethyl)benzene
SMILESFc1ccc(F)c(CCI)c1
InChIInChI=1S/C8H7F2I/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3-4H2
InChIKeyGLLQYULFCVGULN-UHFFFAOYSA-N
MW268.04 g/mol
LogP2.94
Rot. Bonds2

About 1,4-difluoro-2-(2-iodoethyl)benzene

1,4-difluoro-2-(2-iodoethyl)benzene (PubChem CID 147661564) has the molecular formula C8H7F2I and a molecular weight of 268.04 g/mol. Its IUPAC name is 1,4-difluoro-2-(2-iodoethyl)benzene.

Molecular Properties

Compound Name1,4-difluoro-2-(2-iodoethyl)benzene
PubChem CID147661564
Molecular FormulaC8H7F2I
Molecular Weight268.04 g/mol
Exact Mass267.96
IUPAC Name1,4-difluoro-2-(2-iodoethyl)benzene
SMILESFc1ccc(F)c(CCI)c1
InChIInChI=1S/C8H7F2I/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3-4H2
InChIKeyGLLQYULFCVGULN-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.04
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-bromo-4-fluoro-2-(2-iodoethyl)benzene
CID 129177229
1,4-difluoro-2-(2-isocyanoethyl)benzene
CID 83480699
(2,5-difluorophenyl)methylazanium
CID 6951689
2-ethyl-1,4-difluorobenzene
CID 23202513
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 115195405
4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine
CID 117046746
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
2-[2-(2,5-difluorophenyl)ethyl-methylamino]ethanol
CID 115216384
2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene
CID 55192833
N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115726285
2-(2,5-difluorophenyl)ethylurea
CID 115168493

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-(2-iodoethyl)benzene?
The IUPAC name of 1,4-difluoro-2-(2-iodoethyl)benzene (CID 147661564) is 1,4-difluoro-2-(2-iodoethyl)benzene.
What is the SMILES notation for 1,4-difluoro-2-(2-iodoethyl)benzene?
The canonical SMILES for 1,4-difluoro-2-(2-iodoethyl)benzene is Fc1ccc(F)c(CCI)c1.
What is the InChIKey of 1,4-difluoro-2-(2-iodoethyl)benzene?
The InChIKey is GLLQYULFCVGULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2I/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3-4H2.
What are the key properties of 1,4-difluoro-2-(2-iodoethyl)benzene?
1,4-difluoro-2-(2-iodoethyl)benzene has a molecular weight of 268.04 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-(2-iodoethyl)benzene is sourced from PubChem (CID 147661564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).