[(2R)-2-fluoro-2-iodoethyl]benzene

C8H8FI — CID 124672761

IUPAC[(2R)-2-fluoro-2-iodoethyl]benzene
SMILESF[C@H](I)Cc1ccccc1
InChIInChI=1S/C8H8FI/c9-8(10)6-7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m1/s1
InChIKeyVCOOKESZWNZZAG-MRVPVSSYSA-N
MW250.05 g/mol
LogP2.96
Rot. Bonds2

About [(2R)-2-fluoro-2-iodoethyl]benzene

[(2R)-2-fluoro-2-iodoethyl]benzene (PubChem CID 124672761) has the molecular formula C8H8FI and a molecular weight of 250.05 g/mol. Its IUPAC name is [(2R)-2-fluoro-2-iodoethyl]benzene.

Molecular Properties

Compound Name[(2R)-2-fluoro-2-iodoethyl]benzene
PubChem CID124672761
Molecular FormulaC8H8FI
Molecular Weight250.05 g/mol
Exact Mass249.97
IUPAC Name[(2R)-2-fluoro-2-iodoethyl]benzene
SMILESF[C@H](I)Cc1ccccc1
InChIInChI=1S/C8H8FI/c9-8(10)6-7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m1/s1
InChIKeyVCOOKESZWNZZAG-MRVPVSSYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.05
LogP ≤ 52.96
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

(1R)-1-fluoro-2-phenylethanol
CID 163366132
(2R)-2-fluoro-3-phenylpropan-1-amine
CID 69274217
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
2-iodobutylbenzene
CID 11196235
[2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene
CID 68563937
(2R)-2-iodo-3-phenylpropanal
CID 53487128
(2R)-2-iodo-3-phenylpropanoic acid
CID 98007642
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539
(3,3-difluoro-2-isocyanopropyl)benzene
CID 84768315
3-fluoro-4-phenylbutan-2-ol
CID 105433789
1,3-diphenylpropan-2-ylsilane
CID 123615026
1,3-diphenylpropan-2-ylazanium chloride
CID 67842912

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-fluoro-2-iodoethyl]benzene?
The IUPAC name of [(2R)-2-fluoro-2-iodoethyl]benzene (CID 124672761) is [(2R)-2-fluoro-2-iodoethyl]benzene.
What is the SMILES notation for [(2R)-2-fluoro-2-iodoethyl]benzene?
The canonical SMILES for [(2R)-2-fluoro-2-iodoethyl]benzene is F[C@H](I)Cc1ccccc1.
What is the InChIKey of [(2R)-2-fluoro-2-iodoethyl]benzene?
The InChIKey is VCOOKESZWNZZAG-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H8FI/c9-8(10)6-7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m1/s1.
What are the key properties of [(2R)-2-fluoro-2-iodoethyl]benzene?
[(2R)-2-fluoro-2-iodoethyl]benzene has a molecular weight of 250.05 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-fluoro-2-iodoethyl]benzene is sourced from PubChem (CID 124672761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).