7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene

C26H34F2 — CID 139863954

IUPAC7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene
SMILESCCc1ccc2cc(C3CCC(C4CCC(CC)CC4)CC3)c(F)c(F)c2c1
InChIInChI=1S/C26H34F2/c1-3-17-5-8-19(9-6-17)20-11-13-21(14-12-20)24-16-22-10-7-18(4-2)15-23(22)25(27)26(24)28/h7,10,15-17,19-21H,3-6,8-9,11-14H2,1-2H3
InChIKeyLWRMYWUDSNVHIQ-UHFFFAOYSA-N
MW384.55 g/mol
LogP8.17
Rot. Bonds4

About 7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene

7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene (PubChem CID 139863954) has the molecular formula C26H34F2 and a molecular weight of 384.55 g/mol. Its IUPAC name is 7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene.

Molecular Properties

Compound Name7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene
PubChem CID139863954
Molecular FormulaC26H34F2
Molecular Weight384.55 g/mol
Exact Mass384.26
IUPAC Name7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene
SMILESCCc1ccc2cc(C3CCC(C4CCC(CC)CC4)CC3)c(F)c(F)c2c1
InChIInChI=1S/C26H34F2/c1-3-17-5-8-19(9-6-17)20-11-13-21(14-12-20)24-16-22-10-7-18(4-2)15-23(22)25(27)26(24)28/h7,10,15-17,19-21H,3-6,8-9,11-14H2,1-2H3
InChIKeyLWRMYWUDSNVHIQ-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene 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

3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene
CID 139862965
1,2-difluoro-3-[4-(4-pentylcyclohexyl)cyclohexyl]-7-propylnaphthalene
CID 139863384
3-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2-difluoro-7-propylnaphthalene
CID 139863228
1,2-difluoro-7-methoxy-3-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863125
7-ethoxy-1,2-difluoro-3-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863036
3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene
CID 139861965
6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139862753
1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene
CID 139860614
3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene
CID 139862921
1,2-difluoro-7-methoxy-3-(4-pentylcyclohexyl)naphthalene
CID 139864071
2-(4-but-3-enylcyclohexyl)-6-ethyl-1-fluoronaphthalene
CID 139861557
6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863827

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene?
The IUPAC name of 7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene (CID 139863954) is 7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene.
What is the SMILES notation for 7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene?
The canonical SMILES for 7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene is CCc1ccc2cc(C3CCC(C4CCC(CC)CC4)CC3)c(F)c(F)c2c1.
What is the InChIKey of 7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene?
The InChIKey is LWRMYWUDSNVHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2/c1-3-17-5-8-19(9-6-17)20-11-13-21(14-12-20)24-16-22-10-7-18(4-2)15-23(22)25(27)26(24)28/h7,10,15-17,19-21H,3-6,8-9,11-14H2,1-2H3.
What are the key properties of 7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene?
7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene has a molecular weight of 384.55 g/mol, XLogP of 8.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene is sourced from PubChem (CID 139863954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).