1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene

C7H2F4I2O — CID 118841669

IUPAC1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene
SMILESFc1cc(I)c(OC(F)(F)F)cc1I
InChIInChI=1S/C7H2F4I2O/c8-3-1-5(13)6(2-4(3)12)14-7(9,10)11/h1-2H
InChIKeyIUJZIFRTIKBRAA-UHFFFAOYSA-N
MW431.89 g/mol
LogP3.93
Rot. Bonds1

About 1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene

1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene (PubChem CID 118841669) has the molecular formula C7H2F4I2O and a molecular weight of 431.89 g/mol. Its IUPAC name is 1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene
PubChem CID118841669
Molecular FormulaC7H2F4I2O
Molecular Weight431.89 g/mol
Exact Mass431.81
IUPAC Name1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene
SMILESFc1cc(I)c(OC(F)(F)F)cc1I
InChIInChI=1S/C7H2F4I2O/c8-3-1-5(13)6(2-4(3)12)14-7(9,10)11/h1-2H
InChIKeyIUJZIFRTIKBRAA-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171033218
1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171002131
1-chloro-4-fluoro-2-iodo-5-(trifluoromethoxy)benzene
CID 171002272
1,4-diiodo-2-(trifluoromethoxy)benzene
CID 146764437
1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene
CID 171033225
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
(E)-3-[5-fluoro-2-iodo-4-(trifluoromethoxy)phenoxy]but-2-enoic acid
CID 122439890
1-iodo-4-methoxy-2-(trifluoromethoxy)benzene
CID 53415973
5-chloro-4-iodo-2-(trifluoromethoxy)aniline
CID 130895645
1-iodo-4-(trifluoromethoxy)-2,5-bis(trifluoromethyl)benzene
CID 118847326
1-ethoxy-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171003510
1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene
CID 26599128

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene (CID 118841669) is 1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene is Fc1cc(I)c(OC(F)(F)F)cc1I.
What is the InChIKey of 1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene?
The InChIKey is IUJZIFRTIKBRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F4I2O/c8-3-1-5(13)6(2-4(3)12)14-7(9,10)11/h1-2H.
What are the key properties of 1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene?
1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene has a molecular weight of 431.89 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 118841669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).