2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene

C8H5ClF3I — CID 71160025

IUPAC2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1ccc(I)cc1Cl
InChIInChI=1S/C8H5ClF3I/c9-7-3-6(13)2-1-5(7)4-8(10,11)12/h1-3H,4H2
InChIKeyRJNSUKASRBORHD-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.05
Rot. Bonds1

About 2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene

2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene (PubChem CID 71160025) has the molecular formula C8H5ClF3I and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene
PubChem CID71160025
Molecular FormulaC8H5ClF3I
Molecular Weight320.48 g/mol
Exact Mass319.91
IUPAC Name2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1ccc(I)cc1Cl
InChIInChI=1S/C8H5ClF3I/c9-7-3-6(13)2-1-5(7)4-8(10,11)12/h1-3H,4H2
InChIKeyRJNSUKASRBORHD-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
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

2-chloro-1-ethyl-4-iodobenzene
CID 71044998
2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene
CID 116932163
1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113224209
1-(3-bromopropyl)-2-chloro-4-iodobenzene
CID 118830135
N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine
CID 130669925
1-(2-chloro-4-iodophenyl)butan-2-one
CID 147711432
2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43433530
[5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 19065069
1,2,3-trichloro-5-(2,2,2-trifluoroethyl)benzene
CID 123950202
N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107606863
1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine
CID 169386761
1-chloro-2-fluoro-4-iodobenzene
CID 2736563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene (CID 71160025) is 2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene is FC(F)(F)Cc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene?
The InChIKey is RJNSUKASRBORHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3I/c9-7-3-6(13)2-1-5(7)4-8(10,11)12/h1-3H,4H2.
What are the key properties of 2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene?
2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene has a molecular weight of 320.48 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 71160025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).