1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane

C22H33F3O — CID 157094881

IUPAC1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
SMILESCCOC1CCC(C2CCC(CCF)CC2)CC1.Fc1cccc(F)c1
InChIInChI=1S/C16H29FO.C6H4F2/c1-2-18-16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-12-17;7-5-2-1-3-6(8)4-5/h13-16H,2-12H2,1H3;1-4H
InChIKeyAFCAIYPVMMADFB-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.71
Rot. Bonds5

About 1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane

1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane (PubChem CID 157094881) has the molecular formula C22H33F3O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
PubChem CID157094881
Molecular FormulaC22H33F3O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
SMILESCCOC1CCC(C2CCC(CCF)CC2)CC1.Fc1cccc(F)c1
InChIInChI=1S/C16H29FO.C6H4F2/c1-2-18-16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-12-17;7-5-2-1-3-6(8)4-5/h13-16H,2-12H2,1H3;1-4H
InChIKeyAFCAIYPVMMADFB-UHFFFAOYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)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

Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane (CID 157094881) is 1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane is CCOC1CCC(C2CCC(CCF)CC2)CC1.Fc1cccc(F)c1.
What is the InChIKey of 1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
The InChIKey is AFCAIYPVMMADFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FO.C6H4F2/c1-2-18-16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-12-17;7-5-2-1-3-6(8)4-5/h13-16H,2-12H2,1H3;1-4H.
What are the key properties of 1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane?
1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane has a molecular weight of 370.50 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorobenzene;1-ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 157094881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).