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

C22H28F4O — CID 139865040

IUPAC5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC2CC(C3CCc4c(F)cccc4C3OC(F)(F)F)CCC2C1
InChIInChI=1S/C22H28F4O/c1-13-5-6-15-12-16(8-7-14(15)11-13)17-9-10-18-19(3-2-4-20(18)23)21(17)27-22(24,25)26/h2-4,13-17,21H,5-12H2,1H3
InChIKeyAGWMSGZORXGICI-UHFFFAOYSA-N
MW384.46 g/mol
LogP6.82
Rot. Bonds2

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

5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139865040) has the molecular formula C22H28F4O and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID139865040
Molecular FormulaC22H28F4O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC Name5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC2CC(C3CCc4c(F)cccc4C3OC(F)(F)F)CCC2C1
InChIInChI=1S/C22H28F4O/c1-13-5-6-15-12-16(8-7-14(15)11-13)17-9-10-18-19(3-2-4-20(18)23)21(17)27-22(24,25)26/h2-4,13-17,21H,5-12H2,1H3
InChIKeyAGWMSGZORXGICI-UHFFFAOYSA-N
XLogP6.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene (CID 139865040) is 5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene is CC1CCC2CC(C3CCc4c(F)cccc4C3OC(F)(F)F)CCC2C1.
What is the InChIKey of 5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AGWMSGZORXGICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F4O/c1-13-5-6-15-12-16(8-7-14(15)11-13)17-9-10-18-19(3-2-4-20(18)23)21(17)27-22(24,25)26/h2-4,13-17,21H,5-12H2,1H3.
What are the key properties of 5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 384.46 g/mol, XLogP of 6.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139865040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).