1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene

C24H25F4I — CID 90437136

IUPAC1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene
SMILESFc1c(I)ccc(C2CCC(c3ccc(C4CCCCC4)c(F)c3F)CC2)c1F
InChIInChI=1S/C24H25F4I/c25-21-17(14-4-2-1-3-5-14)10-11-18(22(21)26)15-6-8-16(9-7-15)19-12-13-20(29)24(28)23(19)27/h10-16H,1-9H2
InChIKeyGSXMNFTXWJZLQB-UHFFFAOYSA-N
MW516.36 g/mol
LogP8.34
Rot. Bonds3

About 1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene

1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene (PubChem CID 90437136) has the molecular formula C24H25F4I and a molecular weight of 516.36 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene
PubChem CID90437136
Molecular FormulaC24H25F4I
Molecular Weight516.36 g/mol
Exact Mass516.09
IUPAC Name1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene
SMILESFc1c(I)ccc(C2CCC(c3ccc(C4CCCCC4)c(F)c3F)CC2)c1F
InChIInChI=1S/C24H25F4I/c25-21-17(14-4-2-1-3-5-14)10-11-18(22(21)26)15-6-8-16(9-7-15)19-12-13-20(29)24(28)23(19)27/h10-16H,1-9H2
InChIKeyGSXMNFTXWJZLQB-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.36
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexyl-2,3-difluorophenol
CID 134218235
5-(2,3-difluoro-4-iodophenyl)-2-methyloxane
CID 134454496
1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene
CID 123193777
1-[2-(2,3-difluoro-4-iodophenyl)ethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 122643391
1-cyclopentyl-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282573
1-cyclobutyloxy-4-cyclopentyl-2,3-difluorobenzene
CID 153282478
1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 126693080
1-cyclohexyl-2,3-difluoro-4-propoxybenzene
CID 90131075
1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene
CID 126546202
1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
3-cyclohexyl-2-fluorobenzamide
CID 142776335
4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene?
The IUPAC name of 1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene (CID 90437136) is 1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene?
The canonical SMILES for 1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene is Fc1c(I)ccc(C2CCC(c3ccc(C4CCCCC4)c(F)c3F)CC2)c1F.
What is the InChIKey of 1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene?
The InChIKey is GSXMNFTXWJZLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4I/c25-21-17(14-4-2-1-3-5-14)10-11-18(22(21)26)15-6-8-16(9-7-15)19-12-13-20(29)24(28)23(19)27/h10-16H,1-9H2.
What are the key properties of 1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene?
1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene has a molecular weight of 516.36 g/mol, XLogP of 8.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene is sourced from PubChem (CID 90437136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).