1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane

C21H36F2 — CID 101074767

IUPAC1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
SMILESCCCC1CCC(C2CCC(C3CCC(F)(F)CC3)CC2)CC1
InChIInChI=1S/C21H36F2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22,23)15-13-20/h16-20H,2-15H2,1H3
InChIKeyDTOGBNOUOCVTJL-UHFFFAOYSA-N
MW326.52 g/mol
LogP7.22
Rot. Bonds4

About 1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane

1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane (PubChem CID 101074767) has the molecular formula C21H36F2 and a molecular weight of 326.52 g/mol. Its IUPAC name is 1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
PubChem CID101074767
Molecular FormulaC21H36F2
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
SMILESCCCC1CCC(C2CCC(C3CCC(F)(F)CC3)CC2)CC1
InChIInChI=1S/C21H36F2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22,23)15-13-20/h16-20H,2-15H2,1H3
InChIKeyDTOGBNOUOCVTJL-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane 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

4-(4,4-difluorocyclohexyl)-1-fluoro-1-(4-propylcyclohexyl)silinane
CID 139792189
1-chloro-4-(4,4-difluorocyclohexyl)-1-(4-propylcyclohexyl)silinane
CID 139792218
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
2,2-difluoro-5-(4-propylcyclohexyl)oxane
CID 154524129
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
ethane;propane;propylcyclopropane
CID 145406182
1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane
CID 69029660
1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane-1-carbonitrile
CID 18643225
1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 11173805
1-pentyl-4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexane
CID 19819398
1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol
CID 18364504

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane?
The IUPAC name of 1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane (CID 101074767) is 1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane is CCCC1CCC(C2CCC(C3CCC(F)(F)CC3)CC2)CC1.
What is the InChIKey of 1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane?
The InChIKey is DTOGBNOUOCVTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36F2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22,23)15-13-20/h16-20H,2-15H2,1H3.
What are the key properties of 1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane?
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane has a molecular weight of 326.52 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 101074767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).