1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene

C32H44F2 — CID 21052521

IUPAC1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene
SMILESCCCc1c(F)cc(CCC2CCC(C3CCC(CC(C)c4ccccc4)CC3)CC2)cc1F
InChIInChI=1S/C32H44F2/c1-3-7-30-31(33)21-26(22-32(30)34)11-10-24-12-16-28(17-13-24)29-18-14-25(15-19-29)20-23(2)27-8-5-4-6-9-27/h4-6,8-9,21-25,28-29H,3,7,10-20H2,1-2H3
InChIKeyXIMUAUSYFXSUHL-UHFFFAOYSA-N
MW466.70 g/mol
LogP9.66
Rot. Bonds9

About 1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene

1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene (PubChem CID 21052521) has the molecular formula C32H44F2 and a molecular weight of 466.70 g/mol. Its IUPAC name is 1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene.

Molecular Properties

Compound Name1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene
PubChem CID21052521
Molecular FormulaC32H44F2
Molecular Weight466.70 g/mol
Exact Mass466.34
IUPAC Name1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene
SMILESCCCc1c(F)cc(CCC2CCC(C3CCC(CC(C)c4ccccc4)CC3)CC2)cc1F
InChIInChI=1S/C32H44F2/c1-3-7-30-31(33)21-26(22-32(30)34)11-10-24-12-16-28(17-13-24)29-18-14-25(15-19-29)20-23(2)27-8-5-4-6-9-27/h4-6,8-9,21-25,28-29H,3,7,10-20H2,1-2H3
InChIKeyXIMUAUSYFXSUHL-UHFFFAOYSA-N
XLogP9.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.70
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene 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

1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698753
1,2-difluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698776
1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052654
2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene
CID 21052816
1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
CID 58698060
1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58699202
1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 90787490
1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene
CID 58698899
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]benzene
CID 58699463
4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol
CID 71102889
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1,2,3-trifluoro-5-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052402

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene?
The IUPAC name of 1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene (CID 21052521) is 1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene.
What is the SMILES notation for 1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene?
The canonical SMILES for 1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene is CCCc1c(F)cc(CCC2CCC(C3CCC(CC(C)c4ccccc4)CC3)CC2)cc1F.
What is the InChIKey of 1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene?
The InChIKey is XIMUAUSYFXSUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44F2/c1-3-7-30-31(33)21-26(22-32(30)34)11-10-24-12-16-28(17-13-24)29-18-14-25(15-19-29)20-23(2)27-8-5-4-6-9-27/h4-6,8-9,21-25,28-29H,3,7,10-20H2,1-2H3.
What are the key properties of 1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene?
1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene has a molecular weight of 466.70 g/mol, XLogP of 9.66, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene is sourced from PubChem (CID 21052521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).