2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene

C13H7F4I — CID 134620317

IUPAC2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene
SMILESFc1cc(I)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H7F4I/c14-12-7-10(18)4-5-11(12)8-2-1-3-9(6-8)13(15,16)17/h1-7H
InChIKeyDASKDQSTAKSBCK-UHFFFAOYSA-N
MW366.10 g/mol
LogP5.12
Rot. Bonds1

About 2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene

2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 134620317) has the molecular formula C13H7F4I and a molecular weight of 366.10 g/mol. Its IUPAC name is 2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene
PubChem CID134620317
Molecular FormulaC13H7F4I
Molecular Weight366.10 g/mol
Exact Mass365.95
IUPAC Name2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene
SMILESFc1cc(I)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H7F4I/c14-12-7-10(18)4-5-11(12)8-2-1-3-9(6-8)13(15,16)17/h1-7H
InChIKeyDASKDQSTAKSBCK-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-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
3-fluoro-4-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620216
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene
CID 168798404
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene
CID 46312827
1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene
CID 161082404
2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene (CID 134620317) is 2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene is Fc1cc(I)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is DASKDQSTAKSBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4I/c14-12-7-10(18)4-5-11(12)8-2-1-3-9(6-8)13(15,16)17/h1-7H.
What are the key properties of 2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene?
2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]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-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134620317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).