1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene

C8H6Cl2FI — CID 163849495

IUPAC1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene
SMILESCCc1c(Cl)cc(I)c(F)c1Cl
InChIInChI=1S/C8H6Cl2FI/c1-2-4-5(9)3-6(12)8(11)7(4)10/h3H,2H2,1H3
InChIKeyOTCLJPHBVLCBDQ-UHFFFAOYSA-N
MW318.94 g/mol
LogP4.30
Rot. Bonds1

About 1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene

1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene (PubChem CID 163849495) has the molecular formula C8H6Cl2FI and a molecular weight of 318.94 g/mol. Its IUPAC name is 1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene.

Molecular Properties

Compound Name1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene
PubChem CID163849495
Molecular FormulaC8H6Cl2FI
Molecular Weight318.94 g/mol
Exact Mass317.89
IUPAC Name1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene
SMILESCCc1c(Cl)cc(I)c(F)c1Cl
InChIInChI=1S/C8H6Cl2FI/c1-2-4-5(9)3-6(12)8(11)7(4)10/h3H,2H2,1H3
InChIKeyOTCLJPHBVLCBDQ-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.94
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-ethyl-2-fluoro-4-iodobenzene
CID 164893690
1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene
CID 178026499
2,3-dichloro-4-ethyl-1,5-difluorobenzene
CID 155190047
2,5-dichloro-6-ethyl-3,4-difluoroaniline
CID 167081785
1-chloro-2-ethyl-3,5,6-trifluoro-4-methylbenzene
CID 166765212
2-chloro-3-fluoro-1,4-diiodobenzene
CID 118802327
1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene
CID 143567978
6-amino-2,4-dichloro-3-ethylphenol
CID 11769652
2-ethyl-1,3-difluoro-4-iodobenzene
CID 149278031
1,5-dichloro-2-fluoro-3-iodobenzene
CID 121228334
6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde
CID 155413959
5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene?
The IUPAC name of 1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene (CID 163849495) is 1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene.
What is the SMILES notation for 1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene?
The canonical SMILES for 1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene is CCc1c(Cl)cc(I)c(F)c1Cl.
What is the InChIKey of 1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene?
The InChIKey is OTCLJPHBVLCBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2FI/c1-2-4-5(9)3-6(12)8(11)7(4)10/h3H,2H2,1H3.
What are the key properties of 1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene?
1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene has a molecular weight of 318.94 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene is sourced from PubChem (CID 163849495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).