2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene

C14H9F4I — CID 170835752

IUPAC2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene
SMILESCc1ccc(-c2cc(C(F)(F)F)ccc2I)c(F)c1
InChIInChI=1S/C14H9F4I/c1-8-2-4-10(12(15)6-8)11-7-9(14(16,17)18)3-5-13(11)19/h2-7H,1H3
InChIKeyGRUGPEWXHZATMM-UHFFFAOYSA-N
MW380.12 g/mol
LogP5.42
Rot. Bonds1

About 2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene

2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene (PubChem CID 170835752) has the molecular formula C14H9F4I and a molecular weight of 380.12 g/mol. Its IUPAC name is 2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene
PubChem CID170835752
Molecular FormulaC14H9F4I
Molecular Weight380.12 g/mol
Exact Mass379.97
IUPAC Name2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene
SMILESCc1ccc(-c2cc(C(F)(F)F)ccc2I)c(F)c1
InChIInChI=1S/C14H9F4I/c1-8-2-4-10(12(15)6-8)11-7-9(14(16,17)18)3-5-13(11)19/h2-7H,1H3
InChIKeyGRUGPEWXHZATMM-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.12
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene?
The IUPAC name of 2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene (CID 170835752) is 2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene.
What is the SMILES notation for 2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene?
The canonical SMILES for 2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene is Cc1ccc(-c2cc(C(F)(F)F)ccc2I)c(F)c1.
What is the InChIKey of 2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene?
The InChIKey is GRUGPEWXHZATMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4I/c1-8-2-4-10(12(15)6-8)11-7-9(14(16,17)18)3-5-13(11)19/h2-7H,1H3.
What are the key properties of 2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene?
2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene has a molecular weight of 380.12 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene is sourced from PubChem (CID 170835752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).