1,3,5-tris(fluoromethyl)-2-iodobenzene

C9H8F3I — CID 175869822

IUPAC1,3,5-tris(fluoromethyl)-2-iodobenzene
SMILESFCc1cc(CF)c(I)c(CF)c1
InChIInChI=1S/C9H8F3I/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-2H,3-5H2
InChIKeyMMTZNIAQRTTWBI-UHFFFAOYSA-N
MW300.06 g/mol
LogP3.70
Rot. Bonds3

About 1,3,5-tris(fluoromethyl)-2-iodobenzene

1,3,5-tris(fluoromethyl)-2-iodobenzene (PubChem CID 175869822) has the molecular formula C9H8F3I and a molecular weight of 300.06 g/mol. Its IUPAC name is 1,3,5-tris(fluoromethyl)-2-iodobenzene.

Molecular Properties

Compound Name1,3,5-tris(fluoromethyl)-2-iodobenzene
PubChem CID175869822
Molecular FormulaC9H8F3I
Molecular Weight300.06 g/mol
Exact Mass299.96
IUPAC Name1,3,5-tris(fluoromethyl)-2-iodobenzene
SMILESFCc1cc(CF)c(I)c(CF)c1
InChIInChI=1S/C9H8F3I/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-2H,3-5H2
InChIKeyMMTZNIAQRTTWBI-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.06
LogP ≤ 53.70
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 1,3,5-tris(fluoromethyl)-2-iodobenzene?
The IUPAC name of 1,3,5-tris(fluoromethyl)-2-iodobenzene (CID 175869822) is 1,3,5-tris(fluoromethyl)-2-iodobenzene.
What is the SMILES notation for 1,3,5-tris(fluoromethyl)-2-iodobenzene?
The canonical SMILES for 1,3,5-tris(fluoromethyl)-2-iodobenzene is FCc1cc(CF)c(I)c(CF)c1.
What is the InChIKey of 1,3,5-tris(fluoromethyl)-2-iodobenzene?
The InChIKey is MMTZNIAQRTTWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3I/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-2H,3-5H2.
What are the key properties of 1,3,5-tris(fluoromethyl)-2-iodobenzene?
1,3,5-tris(fluoromethyl)-2-iodobenzene has a molecular weight of 300.06 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(fluoromethyl)-2-iodobenzene is sourced from PubChem (CID 175869822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).