1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene

C9H10FI — CID 170736464

IUPAC1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene
SMILESCc1cc(C)c(CI)c(F)c1
InChIInChI=1S/C9H10FI/c1-6-3-7(2)8(5-11)9(10)4-6/h3-4H,5H2,1-2H3
InChIKeyYPQOQMKXYWFECJ-UHFFFAOYSA-N
MW264.08 g/mol
LogP3.38
Rot. Bonds1

About 1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene

1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene (PubChem CID 170736464) has the molecular formula C9H10FI and a molecular weight of 264.08 g/mol. Its IUPAC name is 1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene
PubChem CID170736464
Molecular FormulaC9H10FI
Molecular Weight264.08 g/mol
Exact Mass263.98
IUPAC Name1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene
SMILESCc1cc(C)c(CI)c(F)c1
InChIInChI=1S/C9H10FI/c1-6-3-7(2)8(5-11)9(10)4-6/h3-4H,5H2,1-2H3
InChIKeyYPQOQMKXYWFECJ-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 53.38
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

1-chloro-2-(iodomethyl)-3,5-dimethylbenzene
CID 170736542
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558
(2-fluoro-4,6-dimethylphenyl)methylhydrazine
CID 106884295
2-(3-chloropentyl)-1-fluoro-3,5-dimethylbenzene
CID 106882568
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303
1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine
CID 170264537
2-(chloromethyl)-1,3,5-trimethylbenzene;methane
CID 158287443
1-chloro-2-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-fluoro-5-methylbenzene
CID 129059215
1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106882484
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene
CID 134273607
2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
CID 165138654

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene?
The IUPAC name of 1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene (CID 170736464) is 1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene.
What is the SMILES notation for 1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene?
The canonical SMILES for 1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene is Cc1cc(C)c(CI)c(F)c1.
What is the InChIKey of 1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene?
The InChIKey is YPQOQMKXYWFECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FI/c1-6-3-7(2)8(5-11)9(10)4-6/h3-4H,5H2,1-2H3.
What are the key properties of 1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene?
1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene has a molecular weight of 264.08 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene is sourced from PubChem (CID 170736464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).