2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene

C13H7F4I — CID 46312833

IUPAC2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene
SMILESFc1cccc(-c2cc(C(F)(F)F)ccc2I)c1
InChIInChI=1S/C13H7F4I/c14-10-3-1-2-8(6-10)11-7-9(13(15,16)17)4-5-12(11)18/h1-7H
InChIKeyBPGMIIWOZITILV-UHFFFAOYSA-N
MW366.10 g/mol
LogP5.12
Rot. Bonds1

About 2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene

2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene (PubChem CID 46312833) has the molecular formula C13H7F4I and a molecular weight of 366.10 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene
PubChem CID46312833
Molecular FormulaC13H7F4I
Molecular Weight366.10 g/mol
Exact Mass365.95
IUPAC Name2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene
SMILESFc1cccc(-c2cc(C(F)(F)F)ccc2I)c1
InChIInChI=1S/C13H7F4I/c14-10-3-1-2-8(6-10)11-7-9(13(15,16)17)4-5-12(11)18/h1-7H
InChIKeyBPGMIIWOZITILV-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.10
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 170835758
2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile
CID 46313217
2-[2-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]acetamide
CID 46212198
1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene
CID 46312827
2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine
CID 46312062
1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene
CID 161082404
(E)-3-[2-(3-fluorophenyl)-5-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 46313346
2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene
CID 134620317
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene
CID 170835752
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
4-ethynyl-2-(3-fluorophenyl)-1-(trifluoromethyl)benzene
CID 166642994

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene?
The IUPAC name of 2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene (CID 46312833) is 2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene is Fc1cccc(-c2cc(C(F)(F)F)ccc2I)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene?
The InChIKey is BPGMIIWOZITILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4I/c14-10-3-1-2-8(6-10)11-7-9(13(15,16)17)4-5-12(11)18/h1-7H.
What are the key properties of 2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene?
2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene has a molecular weight of 366.10 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene is sourced from PubChem (CID 46312833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).