2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan

C11H5F4IO — CID 168526828

IUPAC2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan
SMILESFc1cc(-c2ccco2)c(I)c(C(F)(F)F)c1
InChIInChI=1S/C11H5F4IO/c12-6-4-7(9-2-1-3-17-9)10(16)8(5-6)11(13,14)15/h1-5H
InChIKeyMBXSSPDIJVONLT-UHFFFAOYSA-N
MW356.06 g/mol
LogP4.71
Rot. Bonds1

About 2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan

2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan (PubChem CID 168526828) has the molecular formula C11H5F4IO and a molecular weight of 356.06 g/mol. Its IUPAC name is 2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan
PubChem CID168526828
Molecular FormulaC11H5F4IO
Molecular Weight356.06 g/mol
Exact Mass355.93
IUPAC Name2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan
SMILESFc1cc(-c2ccco2)c(I)c(C(F)(F)F)c1
InChIInChI=1S/C11H5F4IO/c12-6-4-7(9-2-1-3-17-9)10(16)8(5-6)11(13,14)15/h1-5H
InChIKeyMBXSSPDIJVONLT-UHFFFAOYSA-N
XLogP4.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.06
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-4-(trifluoromethyl)phenyl]furan
CID 168524503
2-(3-fluoro-5-iodophenyl)furan
CID 168524944
1-bromo-5-fluoro-2-iodo-3-(trifluoromethyl)benzene
CID 46735226
2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan
CID 168528675
2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan
CID 168526241
1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone
CID 168528391
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan
CID 90729865
2-[4-(3,5-difluorophenyl)phenyl]furan
CID 168525624
2-(2,3,4,5,6-pentafluorophenyl)furan
CID 14644888
4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine
CID 164652077
2-(5-chloro-2-iodophenyl)furan
CID 168524442
2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan
CID 169050457

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan (CID 168526828) is 2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan is Fc1cc(-c2ccco2)c(I)c(C(F)(F)F)c1.
What is the InChIKey of 2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan?
The InChIKey is MBXSSPDIJVONLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F4IO/c12-6-4-7(9-2-1-3-17-9)10(16)8(5-6)11(13,14)15/h1-5H.
What are the key properties of 2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan?
2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan has a molecular weight of 356.06 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 168526828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).