1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene

C14H10F3I — CID 170835758

IUPAC1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
SMILESCc1cccc(-c2cc(C(F)(F)F)ccc2I)c1
InChIInChI=1S/C14H10F3I/c1-9-3-2-4-10(7-9)12-8-11(14(15,16)17)5-6-13(12)18/h2-8H,1H3
InChIKeyDGVKXXJEEYIDES-UHFFFAOYSA-N
MW362.13 g/mol
LogP5.29
Rot. Bonds1

About 1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene

1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene (PubChem CID 170835758) has the molecular formula C14H10F3I and a molecular weight of 362.13 g/mol. Its IUPAC name is 1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
PubChem CID170835758
Molecular FormulaC14H10F3I
Molecular Weight362.13 g/mol
Exact Mass361.98
IUPAC Name1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
SMILESCc1cccc(-c2cc(C(F)(F)F)ccc2I)c1
InChIInChI=1S/C14H10F3I/c1-9-3-2-4-10(7-9)12-8-11(14(15,16)17)5-6-13(12)18/h2-8H,1H3
InChIKeyDGVKXXJEEYIDES-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

1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene
CID 46312833
2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene
CID 170835752
2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649099
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-iodo-1,3-bis(3-methylphenyl)benzene
CID 170072024
2-methyl-7-(trifluoromethyl)tetraphenylene
CID 162399376
3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 122379882
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
3-iodo-6-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134626985
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
CID 91233147

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene (CID 170835758) is 1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene is Cc1cccc(-c2cc(C(F)(F)F)ccc2I)c1.
What is the InChIKey of 1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene?
The InChIKey is DGVKXXJEEYIDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3I/c1-9-3-2-4-10(7-9)12-8-11(14(15,16)17)5-6-13(12)18/h2-8H,1H3.
What are the key properties of 1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene?
1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)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-(3-methylphenyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 170835758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).