2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene

C19H21F5O — CID 139948906

IUPAC2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
SMILESCCC1CCC(C2=CCc3c(cc(F)c(OC(F)(F)F)c3F)C2)CC1
InChIInChI=1S/C19H21F5O/c1-2-11-3-5-12(6-4-11)13-7-8-15-14(9-13)10-16(20)18(17(15)21)25-19(22,23)24/h7,10-12H,2-6,8-9H2,1H3
InChIKeyCXKBSOQAJNONEI-UHFFFAOYSA-N
MW360.37 g/mol
LogP6.10
Rot. Bonds3

About 2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene

2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene (PubChem CID 139948906) has the molecular formula C19H21F5O and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
PubChem CID139948906
Molecular FormulaC19H21F5O
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Name2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
SMILESCCC1CCC(C2=CCc3c(cc(F)c(OC(F)(F)F)c3F)C2)CC1
InChIInChI=1S/C19H21F5O/c1-2-11-3-5-12(6-4-11)13-7-8-15-14(9-13)10-16(20)18(17(15)21)25-19(22,23)24/h7,10-12H,2-6,8-9H2,1H3
InChIKeyCXKBSOQAJNONEI-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.37
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene 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

5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948743
2-[2-(4-butylcyclohexyl)ethyl]-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948948
5,7-difluoro-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-(4-pentylcyclohexyl)-1,4-dihydronaphthalene
CID 139948737
6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene
CID 139961519
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluorobenzene
CID 122469905
5,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848586
2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139960667
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5,7-difluoro-2-propyl-1,4-dihydronaphthalene
CID 139948944
5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 139710881
2-(4-pentylcyclohexyl)-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948914
2-[2-(4-ethylcyclohexyl)ethyl]-5-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139960803
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5,7-difluoro-2-hexyl-1,4-dihydronaphthalene
CID 139949009

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
The IUPAC name of 2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene (CID 139948906) is 2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
The canonical SMILES for 2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene is CCC1CCC(C2=CCc3c(cc(F)c(OC(F)(F)F)c3F)C2)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
The InChIKey is CXKBSOQAJNONEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F5O/c1-2-11-3-5-12(6-4-11)13-7-8-15-14(9-13)10-16(20)18(17(15)21)25-19(22,23)24/h7,10-12H,2-6,8-9H2,1H3.
What are the key properties of 2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene has a molecular weight of 360.37 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene is sourced from PubChem (CID 139948906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).