2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane

C16H27F3O2 — CID 118181680

IUPAC2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane
SMILESCCCOC1CCC(C2CCC(OC)C(F)C2F)CC1F
InChIInChI=1S/C16H27F3O2/c1-3-8-21-13-6-4-10(9-12(13)17)11-5-7-14(20-2)16(19)15(11)18/h10-16H,3-9H2,1-2H3
InChIKeyCCKOGJKVFWMPSD-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.02
Rot. Bonds5

About 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane

2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane (PubChem CID 118181680) has the molecular formula C16H27F3O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane.

Molecular Properties

Compound Name2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane
PubChem CID118181680
Molecular FormulaC16H27F3O2
Molecular Weight308.38 g/mol
Exact Mass308.20
IUPAC Name2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane
SMILESCCCOC1CCC(C2CCC(OC)C(F)C2F)CC1F
InChIInChI=1S/C16H27F3O2/c1-3-8-21-13-6-4-10(9-12(13)17)11-5-7-14(20-2)16(19)15(11)18/h10-16H,3-9H2,1-2H3
InChIKeyCCKOGJKVFWMPSD-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane 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

(trans,trans)-4-Propoxy-4'-propyl-1,1'-bicyclohexyl
CID 545355
1-Methoxy-4-(4-propylcyclohexyl)cyclohexane
CID 556851
1,1'-Bicyclohexyl, 4-methoxy-4'-pentyl-
CID 556870
1-Ethoxy-4-(4-pentylcyclohexyl)cyclohexane
CID 559127
(trans,trans)-4-Ethoxy-4'-propyl-1,1'-bicyclohexyl
CID 559130
1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
1-Ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 118971049
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
(1alpha,1'beta)-4beta-Pentyl-4'alpha-(trifluoromethoxy)-1,1'-bicyclohexane
CID 15002009
1-Methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002010
1-Propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
CID 15218814
1-(2,2-Difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 15376156

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane?
The IUPAC name of 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane (CID 118181680) is 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane.
What is the SMILES notation for 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane?
The canonical SMILES for 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane is CCCOC1CCC(C2CCC(OC)C(F)C2F)CC1F.
What is the InChIKey of 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane?
The InChIKey is CCKOGJKVFWMPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3O2/c1-3-8-21-13-6-4-10(9-12(13)17)11-5-7-14(20-2)16(19)15(11)18/h10-16H,3-9H2,1-2H3.
What are the key properties of 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane?
2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane has a molecular weight of 308.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane is sourced from PubChem (CID 118181680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).