1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene

C17H19F2I — CID 160890095

IUPAC1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(I)cc1.Fc1cccc(F)c1
InChIInChI=1S/C11H15I.C6H4F2/c1-4-11(2,3)9-5-7-10(12)8-6-9;7-5-2-1-3-6(8)4-5/h5-8H,4H2,1-3H3;1-4H
InChIKeySODORYCQJIUOMF-UHFFFAOYSA-N
MW388.24 g/mol
LogP5.94
Rot. Bonds2

About 1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene

1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene (PubChem CID 160890095) has the molecular formula C17H19F2I and a molecular weight of 388.24 g/mol. Its IUPAC name is 1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene
PubChem CID160890095
Molecular FormulaC17H19F2I
Molecular Weight388.24 g/mol
Exact Mass388.05
IUPAC Name1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(I)cc1.Fc1cccc(F)c1
InChIInChI=1S/C11H15I.C6H4F2/c1-4-11(2,3)9-5-7-10(12)8-6-9;7-5-2-1-3-6(8)4-5/h5-8H,4H2,1-3H3;1-4H
InChIKeySODORYCQJIUOMF-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.24
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol
CID 65479485
1-iodo-4-(3-methylpentan-3-yl)benzene
CID 170407993
2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine
CID 82085168
1-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-2,4-difluorobenzene
CID 66260161
1,3-difluorobenzene;methanol
CID 144994633
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
1-[4-(2-methylbutan-2-yl)phenyl]pyridin-1-ium
CID 59872471
1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene
CID 134402395
1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene
CID 170009086
(2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66257836
1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872344
tris[4-(2-methylbutan-2-yl)phenyl]phosphane
CID 12900990

Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene (CID 160890095) is 1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene is CCC(C)(C)c1ccc(I)cc1.Fc1cccc(F)c1.
What is the InChIKey of 1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene?
The InChIKey is SODORYCQJIUOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15I.C6H4F2/c1-4-11(2,3)9-5-7-10(12)8-6-9;7-5-2-1-3-6(8)4-5/h5-8H,4H2,1-3H3;1-4H.
What are the key properties of 1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene?
1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene has a molecular weight of 388.24 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 160890095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).