3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene

C23H27ClF2 — CID 20808240

IUPAC3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene
SMILESCCC[C@@H]1CC[C@@H]2CC(c3cc(F)c4cc(Cl)c(F)cc4c3)CCC2C1
InChIInChI=1S/C23H27ClF2/c1-2-3-14-4-5-16-9-17(7-6-15(16)8-14)18-10-19-12-23(26)21(24)13-20(19)22(25)11-18/h10-17H,2-9H2,1H3/t14-,15?,16-,17?/m1/s1
InChIKeyOLYJGJFKSGTAHS-KZYLPZIUSA-N
MW376.92 g/mol
LogP7.87
Rot. Bonds3

About 3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene

3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene (PubChem CID 20808240) has the molecular formula C23H27ClF2 and a molecular weight of 376.92 g/mol. Its IUPAC name is 3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene.

Molecular Properties

Compound Name3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene
PubChem CID20808240
Molecular FormulaC23H27ClF2
Molecular Weight376.92 g/mol
Exact Mass376.18
IUPAC Name3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene
SMILESCCC[C@@H]1CC[C@@H]2CC(c3cc(F)c4cc(Cl)c(F)cc4c3)CCC2C1
InChIInChI=1S/C23H27ClF2/c1-2-3-14-4-5-16-9-17(7-6-15(16)8-14)18-10-19-12-23(26)21(24)13-20(19)22(25)11-18/h10-17H,2-9H2,1H3/t14-,15?,16-,17?/m1/s1
InChIKeyOLYJGJFKSGTAHS-KZYLPZIUSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.92
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene with MolForge

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Related Compounds

7-chloro-3-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,6-difluoronaphthalene
CID 22384779
3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,7-difluoronaphthalene
CID 20808274
7-(difluoromethoxy)-1,6-difluoro-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22384430
1,6-difluoro-3-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 142649672
6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene
CID 20808220
7-(difluoromethoxy)-1,6-difluoro-3-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383280
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384304
6-[(6R,8aR)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,8-tetrafluoronaphthalene
CID 20808156
2-chloro-1,3-difluoro-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22384149
2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385286
(2R,4aR,6R,8aR)-2-(4-fluorophenyl)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809899
(4aS,4bS,7R,8aR,10aS)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 21032762

Frequently Asked Questions

What is the IUPAC name of 3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene?
The IUPAC name of 3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene (CID 20808240) is 3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene.
What is the SMILES notation for 3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene?
The canonical SMILES for 3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene is CCC[C@@H]1CC[C@@H]2CC(c3cc(F)c4cc(Cl)c(F)cc4c3)CCC2C1.
What is the InChIKey of 3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene?
The InChIKey is OLYJGJFKSGTAHS-KZYLPZIUSA-N. The full InChI is InChI=1S/C23H27ClF2/c1-2-3-14-4-5-16-9-17(7-6-15(16)8-14)18-10-19-12-23(26)21(24)13-20(19)22(25)11-18/h10-17H,2-9H2,1H3/t14-,15?,16-,17?/m1/s1.
What are the key properties of 3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene?
3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene has a molecular weight of 376.92 g/mol, XLogP of 7.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-chloro-1,6-difluoronaphthalene is sourced from PubChem (CID 20808240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).