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

C14H7F6I — CID 119019022

IUPAC4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccccc1-c1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C14H7F6I/c15-13(16,17)11-4-2-1-3-9(11)10-6-5-8(21)7-12(10)14(18,19)20/h1-7H
InChIKeyONXAWNCXGFLGPF-UHFFFAOYSA-N
MW416.10 g/mol
LogP6.00
Rot. Bonds1

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

4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 119019022) has the molecular formula C14H7F6I and a molecular weight of 416.10 g/mol. Its IUPAC name is 4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
PubChem CID119019022
Molecular FormulaC14H7F6I
Molecular Weight416.10 g/mol
Exact Mass415.95
IUPAC Name4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccccc1-c1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C14H7F6I/c15-13(16,17)11-4-2-1-3-9(11)10-6-5-8(21)7-12(10)14(18,19)20/h1-7H
InChIKeyONXAWNCXGFLGPF-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.10
LogP ≤ 56.00
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-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
1,3-dichloro-2-[4-iodo-2-(trifluoromethyl)phenyl]benzene
CID 118994725
1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene
CID 46312827
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde
CID 134617334
4-N-phenyl-4-N-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]-1-N,1-N-bis[4-(N-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 58963789
2-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118996851
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134617336
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 134620536
1-ethynyl-4-iodo-2-(trifluoromethyl)benzene
CID 133054935
4-chloro-2-methyl-1-[2-(trifluoromethyl)phenyl]benzene
CID 118834049

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene (CID 119019022) is 4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccccc1-c1ccc(I)cc1C(F)(F)F.
What is the InChIKey of 4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is ONXAWNCXGFLGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6I/c15-13(16,17)11-4-2-1-3-9(11)10-6-5-8(21)7-12(10)14(18,19)20/h1-7H.
What are the key properties of 4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 416.10 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 119019022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).