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

C13H7F4I — CID 46312827

IUPAC1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene
SMILESFc1cccc(-c2ccc(I)cc2C(F)(F)F)c1
InChIInChI=1S/C13H7F4I/c14-9-3-1-2-8(6-9)11-5-4-10(18)7-12(11)13(15,16)17/h1-7H
InChIKeyAGTIBVFBZOQUJV-UHFFFAOYSA-N
MW366.10 g/mol
LogP5.12
Rot. Bonds1

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

1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene (PubChem CID 46312827) has the molecular formula C13H7F4I and a molecular weight of 366.10 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene
PubChem CID46312827
Molecular FormulaC13H7F4I
Molecular Weight366.10 g/mol
Exact Mass365.95
IUPAC Name1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene
SMILESFc1cccc(-c2ccc(I)cc2C(F)(F)F)c1
InChIInChI=1S/C13H7F4I/c14-9-3-1-2-8(6-9)11-5-4-10(18)7-12(11)13(15,16)17/h1-7H
InChIKeyAGTIBVFBZOQUJV-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

4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 119019022
2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 163408294
1,3-dichloro-2-[4-iodo-2-(trifluoromethyl)phenyl]benzene
CID 118994725
2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene
CID 46312833
2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene
CID 134620317
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 134628195
1-[3-(bromomethyl)phenyl]-4-fluoro-2-(trifluoromethyl)benzene
CID 118086167
2-tert-butyl-5-(3-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 121384491
4-ethynyl-2-(3-fluorophenyl)-1-(trifluoromethyl)benzene
CID 166642994
5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene
CID 158999155
1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene
CID 161082404
3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine
CID 46317075

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene (CID 46312827) is 1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene is Fc1cccc(-c2ccc(I)cc2C(F)(F)F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene?
The InChIKey is AGTIBVFBZOQUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4I/c14-9-3-1-2-8(6-9)11-5-4-10(18)7-12(11)13(15,16)17/h1-7H.
What are the key properties of 1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene?
1-(3-fluorophenyl)-4-iodo-2-(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 1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene is sourced from PubChem (CID 46312827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).