1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene

C14H12FI — CID 170244212

IUPAC1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1c(C)cc(I)cc1F
InChIInChI=1S/C14H12FI/c1-9-5-3-4-6-12(9)14-10(2)7-11(16)8-13(14)15/h3-8H,1-2H3
InChIKeyVBTSUNUGKKLVBE-UHFFFAOYSA-N
MW326.15 g/mol
LogP4.71
Rot. Bonds1

About 1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene

1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene (PubChem CID 170244212) has the molecular formula C14H12FI and a molecular weight of 326.15 g/mol. Its IUPAC name is 1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene.

Molecular Properties

Compound Name1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene
PubChem CID170244212
Molecular FormulaC14H12FI
Molecular Weight326.15 g/mol
Exact Mass326.00
IUPAC Name1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1c(C)cc(I)cc1F
InChIInChI=1S/C14H12FI/c1-9-5-3-4-6-12(9)14-10(2)7-11(16)8-13(14)15/h3-8H,1-2H3
InChIKeyVBTSUNUGKKLVBE-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 54.71
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

3,5-dimethyl-4-(2-methylphenyl)phenol
CID 21281420
1,2-dichloro-4-fluoro-3-(2-methylphenyl)benzene
CID 164891854
2-(2-fluorophenyl)-1,3-dimethylbenzene
CID 22075461
1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
CID 134620923
tris[3,5-dimethyl-2,6-bis(2-methylphenyl)phenoxy]alumane
CID 23501597
1-iodo-4-methylazulene
CID 139618085
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
2-fluoro-5-(2-methylphenyl)aniline
CID 82076476
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
2-fluoro-6-(2-methylphenyl)phenol
CID 171109405
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
2-(2-fluorophenyl)-1,4-dimethylbenzene
CID 66641436

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene?
The IUPAC name of 1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene (CID 170244212) is 1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene.
What is the SMILES notation for 1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene?
The canonical SMILES for 1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene is Cc1ccccc1-c1c(C)cc(I)cc1F.
What is the InChIKey of 1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene?
The InChIKey is VBTSUNUGKKLVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FI/c1-9-5-3-4-6-12(9)14-10(2)7-11(16)8-13(14)15/h3-8H,1-2H3.
What are the key properties of 1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene?
1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene has a molecular weight of 326.15 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-iodo-3-methyl-2-(2-methylphenyl)benzene is sourced from PubChem (CID 170244212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).