2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene

C24H33F4I — CID 20654197

IUPAC2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCCCC1CCC(CCC2CCC(c3cc(F)c(C(F)(F)I)c(F)c3)CC2)CC1
InChIInChI=1S/C24H33F4I/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)20-14-21(25)23(22(26)15-20)24(27,28)29/h14-19H,2-13H2,1H3
InChIKeyLALQNIRWNALLOE-UHFFFAOYSA-N
MW524.42 g/mol
LogP9.11
Rot. Bonds7

About 2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene

2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene (PubChem CID 20654197) has the molecular formula C24H33F4I and a molecular weight of 524.42 g/mol. Its IUPAC name is 2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene.

Molecular Properties

Compound Name2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
PubChem CID20654197
Molecular FormulaC24H33F4I
Molecular Weight524.42 g/mol
Exact Mass524.16
IUPAC Name2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCCCC1CCC(CCC2CCC(c3cc(F)c(C(F)(F)I)c(F)c3)CC2)CC1
InChIInChI=1S/C24H33F4I/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)20-14-21(25)23(22(26)15-20)24(27,28)29/h14-19H,2-13H2,1H3
InChIKeyLALQNIRWNALLOE-UHFFFAOYSA-N
XLogP9.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.42
LogP ≤ 59.11
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'}

Analyze 2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]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-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 20654003
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099
1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247373
1,3-difluoro-5-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]-2-(trifluoromethyl)benzene
CID 54565948
1,3-difluoro-2-(fluoromethyl)-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 70821004
2-[difluoro-(4-fluorophenoxy)methyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 20654174
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67847934
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,2-difluoroethenyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 123945643
2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20653816
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The IUPAC name of 2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene (CID 20654197) is 2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene.
What is the SMILES notation for 2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The canonical SMILES for 2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene is CCCC1CCC(CCC2CCC(c3cc(F)c(C(F)(F)I)c(F)c3)CC2)CC1.
What is the InChIKey of 2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The InChIKey is LALQNIRWNALLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F4I/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)20-14-21(25)23(22(26)15-20)24(27,28)29/h14-19H,2-13H2,1H3.
What are the key properties of 2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene has a molecular weight of 524.42 g/mol, XLogP of 9.11, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene is sourced from PubChem (CID 20654197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).