2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene

C24H25F3 — CID 139961550

IUPAC2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene
SMILESCCC1CCC(c2cc(F)c(C3=CCc4ccc(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C24H25F3/c1-2-15-3-5-16(6-4-15)20-13-22(26)24(23(27)14-20)18-8-7-17-9-10-21(25)12-19(17)11-18/h8-10,12-16H,2-7,11H2,1H3
InChIKeyADOHRZYYWNSELL-UHFFFAOYSA-N
MW370.46 g/mol
LogP6.97
Rot. Bonds3

About 2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene

2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene (PubChem CID 139961550) has the molecular formula C24H25F3 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene
PubChem CID139961550
Molecular FormulaC24H25F3
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene
SMILESCCC1CCC(c2cc(F)c(C3=CCc4ccc(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C24H25F3/c1-2-15-3-5-16(6-4-15)20-13-22(26)24(23(27)14-20)18-8-7-17-9-10-21(25)12-19(17)11-18/h8-10,12-16H,2-7,11H2,1H3
InChIKeyADOHRZYYWNSELL-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961510
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139961611
2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139848253
2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961869
6,7-difluoro-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139961787
2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961736
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
CID 139967145
4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol
CID 165344858
5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139949006
3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961417

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene?
The IUPAC name of 2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene (CID 139961550) is 2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene?
The canonical SMILES for 2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene is CCC1CCC(c2cc(F)c(C3=CCc4ccc(F)cc4C3)c(F)c2)CC1.
What is the InChIKey of 2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene?
The InChIKey is ADOHRZYYWNSELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3/c1-2-15-3-5-16(6-4-15)20-13-22(26)24(23(27)14-20)18-8-7-17-9-10-21(25)12-19(17)11-18/h8-10,12-16H,2-7,11H2,1H3.
What are the key properties of 2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene?
2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene has a molecular weight of 370.46 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139961550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).