2,3-difluoro-1-hexyl-4-iodobenzene

C12H15F2I — CID 19911038

IUPAC2,3-difluoro-1-hexyl-4-iodobenzene
SMILESCCCCCCc1ccc(I)c(F)c1F
InChIInChI=1S/C12H15F2I/c1-2-3-4-5-6-9-7-8-10(15)12(14)11(9)13/h7-8H,2-6H2,1H3
InChIKeyUVLORDVPTPROBR-UHFFFAOYSA-N
MW324.15 g/mol
LogP4.69
Rot. Bonds5

About 2,3-difluoro-1-hexyl-4-iodobenzene

2,3-difluoro-1-hexyl-4-iodobenzene (PubChem CID 19911038) has the molecular formula C12H15F2I and a molecular weight of 324.15 g/mol. Its IUPAC name is 2,3-difluoro-1-hexyl-4-iodobenzene.

Molecular Properties

Compound Name2,3-difluoro-1-hexyl-4-iodobenzene
PubChem CID19911038
Molecular FormulaC12H15F2I
Molecular Weight324.15 g/mol
Exact Mass324.02
IUPAC Name2,3-difluoro-1-hexyl-4-iodobenzene
SMILESCCCCCCc1ccc(I)c(F)c1F
InChIInChI=1S/C12H15F2I/c1-2-3-4-5-6-9-7-8-10(15)12(14)11(9)13/h7-8H,2-6H2,1H3
InChIKeyUVLORDVPTPROBR-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-ethyl-2,3-difluorobenzene
CID 139904703
2,3-difluoro-4-hexylphenol
CID 19910978
1-iodo-2,3,4-tri(nonyl)benzene
CID 70513749
2,3-difluoro-4-heptylbenzaldehyde;2,3-difluoro-4-pentylbenzaldehyde;2,3-difluoro-4-propylbenzaldehyde;4-ethyl-2,3-difluorobenzaldehyde
CID 159912257
CID 57077754
CID 57077754
2,3-difluoro-1-hexoxy-4-iodobenzene
CID 57049487
1,8-difluoro-2-heptyl-7-hexyl-9,10-dihydrophenanthrene
CID 174389855
2,3-difluoro-1-(4-octoxyphenyl)-4-pentylbenzene
CID 20665389
2,3-difluoro-4-pentylbenzoic acid
CID 19103630
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-octylbenzene
CID 54190896
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
CID 146536354
3-hexyl-4-iodoaniline
CID 139793962

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-hexyl-4-iodobenzene?
The IUPAC name of 2,3-difluoro-1-hexyl-4-iodobenzene (CID 19911038) is 2,3-difluoro-1-hexyl-4-iodobenzene.
What is the SMILES notation for 2,3-difluoro-1-hexyl-4-iodobenzene?
The canonical SMILES for 2,3-difluoro-1-hexyl-4-iodobenzene is CCCCCCc1ccc(I)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-hexyl-4-iodobenzene?
The InChIKey is UVLORDVPTPROBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2I/c1-2-3-4-5-6-9-7-8-10(15)12(14)11(9)13/h7-8H,2-6H2,1H3.
What are the key properties of 2,3-difluoro-1-hexyl-4-iodobenzene?
2,3-difluoro-1-hexyl-4-iodobenzene has a molecular weight of 324.15 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-hexyl-4-iodobenzene is sourced from PubChem (CID 19911038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).