7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene

C24H25F3 — CID 139960320

IUPAC7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene
SMILESCCC1CCC(C2=Cc3ccc(-c4ccc(F)c(F)c4)c(F)c3CC2)CC1
InChIInChI=1S/C24H25F3/c1-2-15-3-5-16(6-4-15)17-7-10-20-18(13-17)8-11-21(24(20)27)19-9-12-22(25)23(26)14-19/h8-9,11-16H,2-7,10H2,1H3
InChIKeyGRSRBRFGYRNKBJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP7.32
Rot. Bonds3

About 7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene

7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene (PubChem CID 139960320) has the molecular formula C24H25F3 and a molecular weight of 370.46 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene
PubChem CID139960320
Molecular FormulaC24H25F3
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene
SMILESCCC1CCC(C2=Cc3ccc(-c4ccc(F)c(F)c4)c(F)c3CC2)CC1
InChIInChI=1S/C24H25F3/c1-2-15-3-5-16(6-4-15)17-7-10-20-18(13-17)8-11-21(24(20)27)19-9-12-22(25)23(26)14-19/h8-9,11-16H,2-7,10H2,1H3
InChIKeyGRSRBRFGYRNKBJ-UHFFFAOYSA-N
XLogP7.32
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 ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
CID 139951874
6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852568
3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961323
3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961417
7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene
CID 139960412
8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene
CID 139960593
2-butyl-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852102
1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118593478
2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene
CID 139884423
8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960658
4-[2-(3,4-difluorophenyl)phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene
CID 22440925
2-(4-butylcyclohexyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852117

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene?
The IUPAC name of 7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene (CID 139960320) is 7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene.
What is the SMILES notation for 7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene?
The canonical SMILES for 7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene is CCC1CCC(C2=Cc3ccc(-c4ccc(F)c(F)c4)c(F)c3CC2)CC1.
What is the InChIKey of 7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene?
The InChIKey is GRSRBRFGYRNKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3/c1-2-15-3-5-16(6-4-15)17-7-10-20-18(13-17)8-11-21(24(20)27)19-9-12-22(25)23(26)14-19/h8-9,11-16H,2-7,10H2,1H3.
What are the key properties of 7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene?
7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene has a molecular weight of 370.46 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene is sourced from PubChem (CID 139960320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).