4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene

C9H6F5IO — CID 175686923

IUPAC4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene
SMILESFc1ccc(OCC(F)(F)C(F)F)c(I)c1
InChIInChI=1S/C9H6F5IO/c10-5-1-2-7(6(15)3-5)16-4-9(13,14)8(11)12/h1-3,8H,4H2
InChIKeyXXZUASJWFUZCSK-UHFFFAOYSA-N
MW352.04 g/mol
LogP3.71
Rot. Bonds4

About 4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene

4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene (PubChem CID 175686923) has the molecular formula C9H6F5IO and a molecular weight of 352.04 g/mol. Its IUPAC name is 4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene.

Molecular Properties

Compound Name4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene
PubChem CID175686923
Molecular FormulaC9H6F5IO
Molecular Weight352.04 g/mol
Exact Mass351.94
IUPAC Name4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene
SMILESFc1ccc(OCC(F)(F)C(F)F)c(I)c1
InChIInChI=1S/C9H6F5IO/c10-5-1-2-7(6(15)3-5)16-4-9(13,14)8(11)12/h1-3,8H,4H2
InChIKeyXXZUASJWFUZCSK-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.04
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene?
The IUPAC name of 4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene (CID 175686923) is 4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene.
What is the SMILES notation for 4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene?
The canonical SMILES for 4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene is Fc1ccc(OCC(F)(F)C(F)F)c(I)c1.
What is the InChIKey of 4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene?
The InChIKey is XXZUASJWFUZCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5IO/c10-5-1-2-7(6(15)3-5)16-4-9(13,14)8(11)12/h1-3,8H,4H2.
What are the key properties of 4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene?
4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene has a molecular weight of 352.04 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene is sourced from PubChem (CID 175686923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).