1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene

C7H2F5I — CID 131699534

IUPAC1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene
SMILESFc1cc(I)cc(C(F)(F)F)c1F
InChIInChI=1S/C7H2F5I/c8-5-2-3(13)1-4(6(5)9)7(10,11)12/h1-2H
InChIKeyJQJQTFNKOZUIJD-UHFFFAOYSA-N
MW307.99 g/mol
LogP3.59
Rot. Bonds

About 1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene

1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene (PubChem CID 131699534) has the molecular formula C7H2F5I and a molecular weight of 307.99 g/mol. Its IUPAC name is 1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene
PubChem CID131699534
Molecular FormulaC7H2F5I
Molecular Weight307.99 g/mol
Exact Mass307.91
IUPAC Name1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene
SMILESFc1cc(I)cc(C(F)(F)F)c1F
InChIInChI=1S/C7H2F5I/c8-5-2-3(13)1-4(6(5)9)7(10,11)12/h1-2H
InChIKeyJQJQTFNKOZUIJD-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.99
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

2-fluoro-5-iodo-3-(trifluoromethyl)aniline
CID 130970256
[2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine
CID 171010565
2-fluoro-4-iodo-1-(trifluoromethyl)benzene
CID 2737343
1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
CID 22945680
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
1,3-ditert-butyl-2-fluoro-5-iodobenzene
CID 90150782
1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone
CID 50998410
1,3,5-triiodo-2-(trifluoromethyl)benzene
CID 54176960
5-iodo-2-sulfanyl-3-(trifluoromethyl)benzonitrile
CID 171025453
2,3,6-trifluoro-5-(trifluoromethyl)benzaldehyde
CID 19995606
2-bromo-5-iodo-3-(trifluoromethyl)aniline
CID 118994035
1-bromo-5-iodo-2-methyl-3-(trifluoromethyl)benzene
CID 154630994

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene?
The IUPAC name of 1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene (CID 131699534) is 1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene?
The canonical SMILES for 1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene is Fc1cc(I)cc(C(F)(F)F)c1F.
What is the InChIKey of 1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene?
The InChIKey is JQJQTFNKOZUIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F5I/c8-5-2-3(13)1-4(6(5)9)7(10,11)12/h1-2H.
What are the key properties of 1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene?
1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene has a molecular weight of 307.99 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene is sourced from PubChem (CID 131699534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).