1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene

C8H5F4IO — CID 26985388

IUPAC1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene
SMILESFC(F)C(F)(F)Oc1ccc(I)cc1
InChIInChI=1S/C8H5F4IO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H
InChIKeyBVBKUIQRNCSAFZ-UHFFFAOYSA-N
MW320.02 g/mol
LogP3.53
Rot. Bonds3

About 1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene

1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene (PubChem CID 26985388) has the molecular formula C8H5F4IO and a molecular weight of 320.02 g/mol. Its IUPAC name is 1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene.

Molecular Properties

Compound Name1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene
PubChem CID26985388
Molecular FormulaC8H5F4IO
Molecular Weight320.02 g/mol
Exact Mass319.93
IUPAC Name1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene
SMILESFC(F)C(F)(F)Oc1ccc(I)cc1
InChIInChI=1S/C8H5F4IO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H
InChIKeyBVBKUIQRNCSAFZ-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 15514819
(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171228229
2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one
CID 146008854
1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine
CID 170890919
(2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515285
(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515284
(R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 171208678
(1S)-3-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171228261
2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
CID 4984988
2,2,3,3,4,4,4-heptafluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one
CID 146008869
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-amine
CID 171228244
(4R)-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidin-2-one
CID 171252567

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene?
The IUPAC name of 1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene (CID 26985388) is 1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene.
What is the SMILES notation for 1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene?
The canonical SMILES for 1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene is FC(F)C(F)(F)Oc1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene?
The InChIKey is BVBKUIQRNCSAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4IO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H.
What are the key properties of 1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene?
1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene has a molecular weight of 320.02 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene is sourced from PubChem (CID 26985388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).