1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene

C8H5F4I — CID 162566787

IUPAC1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)(F)F)cc1CI
InChIInChI=1S/C8H5F4I/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H,4H2
InChIKeyRDLQPOMXGMJFDY-UHFFFAOYSA-N
MW304.02 g/mol
LogP3.78
Rot. Bonds1

About 1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene

1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene (PubChem CID 162566787) has the molecular formula C8H5F4I and a molecular weight of 304.02 g/mol. Its IUPAC name is 1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene
PubChem CID162566787
Molecular FormulaC8H5F4I
Molecular Weight304.02 g/mol
Exact Mass303.94
IUPAC Name1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)(F)F)cc1CI
InChIInChI=1S/C8H5F4I/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H,4H2
InChIKeyRDLQPOMXGMJFDY-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.02
LogP ≤ 53.78
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

N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 143092544
3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 53434374
2-(3,3-dimethylbutyl)-1-fluoro-4-(trifluoromethyl)benzene
CID 129147241
2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 83808287
2-[2-fluoro-5-(trifluoromethyl)phenyl]ethylhydrazine
CID 53402567
4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine
CID 83808880
2-(1,1-difluoroethyl)-1-(iodomethyl)-4-(trifluoromethyl)benzene
CID 89493278
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 79032953
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
3-[2-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
CID 83402778
2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine
CID 154541164
3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide
CID 154217889

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene (CID 162566787) is 1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene is Fc1ccc(C(F)(F)F)cc1CI.
What is the InChIKey of 1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene?
The InChIKey is RDLQPOMXGMJFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4I/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H,4H2.
What are the key properties of 1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene?
1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene has a molecular weight of 304.02 g/mol, XLogP of 3.78, 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)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162566787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).