7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

C22H28F4 — CID 139865748

IUPAC7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC2CC(C3CCc4cc(C(F)(F)F)c(F)cc4C3)CCC2C1
InChIInChI=1S/C22H28F4/c1-13-2-3-15-9-16(5-4-14(15)8-13)17-6-7-18-11-20(22(24,25)26)21(23)12-19(18)10-17/h11-17H,2-10H2,1H3
InChIKeyOTGCFUBXSAANPT-UHFFFAOYSA-N
MW368.46 g/mol
LogP6.80
Rot. Bonds1

About 7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139865748) has the molecular formula C22H28F4 and a molecular weight of 368.46 g/mol. Its IUPAC name is 7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139865748
Molecular FormulaC22H28F4
Molecular Weight368.46 g/mol
Exact Mass368.21
IUPAC Name7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC2CC(C3CCc4cc(C(F)(F)F)c(F)cc4C3)CCC2C1
InChIInChI=1S/C22H28F4/c1-13-2-3-15-9-16(5-4-14(15)8-13)17-6-7-18-11-20(22(24,25)26)21(23)12-19(18)10-17/h11-17H,2-10H2,1H3
InChIKeyOTGCFUBXSAANPT-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

7-fluoro-2-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 139865475
2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 139864866
6-but-3-enyl-5,7-difluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865771
5,6-difluoro-2-[6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139869718
7-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 58839845
6-(difluoromethoxy)-7-fluoro-2-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865092
2-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracene
CID 154673136
6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 67967191
6-fluoro-2-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139867557
5,6,7-trifluoro-2-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139866393
5-fluoro-2-(6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 139866001
2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 58839727

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (CID 139865748) is 7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is CC1CCC2CC(C3CCc4cc(C(F)(F)F)c(F)cc4C3)CCC2C1.
What is the InChIKey of 7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OTGCFUBXSAANPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F4/c1-13-2-3-15-9-16(5-4-14(15)8-13)17-6-7-18-11-20(22(24,25)26)21(23)12-19(18)10-17/h11-17H,2-10H2,1H3.
What are the key properties of 7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 368.46 g/mol, XLogP of 6.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139865748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).