1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene

C14H10F3I — CID 134628313

IUPAC1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene
SMILESCc1cc(-c2ccccc2C(F)(F)F)ccc1I
InChIInChI=1S/C14H10F3I/c1-9-8-10(6-7-13(9)18)11-4-2-3-5-12(11)14(15,16)17/h2-8H,1H3
InChIKeyXQRYUEJLASLTAO-UHFFFAOYSA-N
MW362.13 g/mol
LogP5.29
Rot. Bonds1

About 1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene

1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 134628313) has the molecular formula C14H10F3I and a molecular weight of 362.13 g/mol. Its IUPAC name is 1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene
PubChem CID134628313
Molecular FormulaC14H10F3I
Molecular Weight362.13 g/mol
Exact Mass361.98
IUPAC Name1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene
SMILESCc1cc(-c2ccccc2C(F)(F)F)ccc1I
InChIInChI=1S/C14H10F3I/c1-9-8-10(6-7-13(9)18)11-4-2-3-5-12(11)14(15,16)17/h2-8H,1H3
InChIKeyXQRYUEJLASLTAO-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.13
LogP ≤ 55.29
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-methyl-4-[2-(trifluoromethyl)phenyl]phenol
CID 53219065
1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol
CID 143634112
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
3-[2-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 90722010
2-iodo-1-(trifluoromethoxy)-4-[2-(trifluoromethyl)phenyl]benzene
CID 172676650
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 145031967
1-[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)-4-[2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]benzene
CID 59609359
3-(2-methylphenyl)-6-[2-(trifluoromethyl)phenyl]phenanthrene-9,10-dione
CID 58301297
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine
CID 126582882
1-[2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine;hydrochloride
CID 172876616

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene (CID 134628313) is 1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene is Cc1cc(-c2ccccc2C(F)(F)F)ccc1I.
What is the InChIKey of 1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is XQRYUEJLASLTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3I/c1-9-8-10(6-7-13(9)18)11-4-2-3-5-12(11)14(15,16)17/h2-8H,1H3.
What are the key properties of 1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene?
1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 362.13 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134628313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).