1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene

C8H5ClF3I — CID 89363824

IUPAC1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(CI)ccc1Cl
InChIInChI=1S/C8H5ClF3I/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4H2
InChIKeyQNZYTVLPUAUYRB-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.29
Rot. Bonds1

About 1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene

1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene (PubChem CID 89363824) has the molecular formula C8H5ClF3I and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene
PubChem CID89363824
Molecular FormulaC8H5ClF3I
Molecular Weight320.48 g/mol
Exact Mass319.91
IUPAC Name1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(CI)ccc1Cl
InChIInChI=1S/C8H5ClF3I/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4H2
InChIKeyQNZYTVLPUAUYRB-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
2-[4-chloro-3-(trifluoromethyl)phenyl]acetonitrile
CID 5004685
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-[3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]piperazine
CID 14097041
1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]propane-2-thione
CID 149226148
3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865230
2-[4-chloro-3-(trifluoromethyl)phenyl]ethyl cyanate
CID 141397499
4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene
CID 71388387
CID 162603813
CID 162603813
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
CID 122695284
2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]butanedioic acid
CID 142773342

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene (CID 89363824) is 1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(CI)ccc1Cl.
What is the InChIKey of 1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene?
The InChIKey is QNZYTVLPUAUYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3I/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4H2.
What are the key properties of 1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene?
1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene has a molecular weight of 320.48 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 89363824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).