2-chloro-1-fluoro-3-iodo-4-methylbenzene

C7H5ClFI — CID 130951000

IUPAC2-chloro-1-fluoro-3-iodo-4-methylbenzene
SMILESCc1ccc(F)c(Cl)c1I
InChIInChI=1S/C7H5ClFI/c1-4-2-3-5(9)6(8)7(4)10/h2-3H,1H3
InChIKeyMLBJWVJKCNRZLV-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.39
Rot. Bonds

About 2-chloro-1-fluoro-3-iodo-4-methylbenzene

2-chloro-1-fluoro-3-iodo-4-methylbenzene (PubChem CID 130951000) has the molecular formula C7H5ClFI and a molecular weight of 270.47 g/mol. Its IUPAC name is 2-chloro-1-fluoro-3-iodo-4-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-3-iodo-4-methylbenzene
PubChem CID130951000
Molecular FormulaC7H5ClFI
Molecular Weight270.47 g/mol
Exact Mass269.91
IUPAC Name2-chloro-1-fluoro-3-iodo-4-methylbenzene
SMILESCc1ccc(F)c(Cl)c1I
InChIInChI=1S/C7H5ClFI/c1-4-2-3-5(9)6(8)7(4)10/h2-3H,1H3
InChIKeyMLBJWVJKCNRZLV-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-fluoro-4-methyl-2-phenylbenzene
CID 166546525
(2-chloro-3-fluoro-6-methylphenyl)boronic acid
CID 155905903
2-chloro-6-fluoro-3-methylbenzenethiol
CID 118991446
[1-(2-chloro-3-fluoro-6-methylphenyl)cyclobutyl]methanamine
CID 117327869
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
2-chloro-1-fluoro-4-methyl-3-nitrobenzene
CID 130807356
2-chloro-6-fluoro-N,3-dimethylaniline
CID 174640789
(3-chloro-4-fluoro-2-methylphenyl)methanamine
CID 84766568
(3-chloro-4-fluoro-2-methylphenyl)phosphane
CID 178005191
1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine
CID 117307503
3-fluoro-1,2-diiodo-4-methylbenzene
CID 130967572

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-3-iodo-4-methylbenzene?
The IUPAC name of 2-chloro-1-fluoro-3-iodo-4-methylbenzene (CID 130951000) is 2-chloro-1-fluoro-3-iodo-4-methylbenzene.
What is the SMILES notation for 2-chloro-1-fluoro-3-iodo-4-methylbenzene?
The canonical SMILES for 2-chloro-1-fluoro-3-iodo-4-methylbenzene is Cc1ccc(F)c(Cl)c1I.
What is the InChIKey of 2-chloro-1-fluoro-3-iodo-4-methylbenzene?
The InChIKey is MLBJWVJKCNRZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFI/c1-4-2-3-5(9)6(8)7(4)10/h2-3H,1H3.
What are the key properties of 2-chloro-1-fluoro-3-iodo-4-methylbenzene?
2-chloro-1-fluoro-3-iodo-4-methylbenzene has a molecular weight of 270.47 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-3-iodo-4-methylbenzene is sourced from PubChem (CID 130951000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).