6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene

C24H33F — CID 22383483

IUPAC6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc2c(c1)CCC(C1CCC3CC(/C=C/F)CCC3C1)C2
InChIInChI=1S/C24H33F/c1-2-17-3-5-21-15-23(9-7-19(21)13-17)24-10-8-20-14-18(11-12-25)4-6-22(20)16-24/h3,5,11-13,18,20,22-24H,2,4,6-10,14-16H2,1H3/b12-11+
InChIKeyAVORJSWESWWSRD-VAWYXSNFSA-N
MW340.53 g/mol
LogP6.67
Rot. Bonds3

About 6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene

6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 22383483) has the molecular formula C24H33F and a molecular weight of 340.53 g/mol. Its IUPAC name is 6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
PubChem CID22383483
Molecular FormulaC24H33F
Molecular Weight340.53 g/mol
Exact Mass340.26
IUPAC Name6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc2c(c1)CCC(C1CCC3CC(/C=C/F)CCC3C1)C2
InChIInChI=1S/C24H33F/c1-2-17-3-5-21-15-23(9-7-19(21)13-17)24-10-8-20-14-18(11-12-25)4-6-22(20)16-24/h3,5,11-13,18,20,22-24H,2,4,6-10,14-16H2,1H3/b12-11+
InChIKeyAVORJSWESWWSRD-VAWYXSNFSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.53
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene (CID 22383483) is 6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene is CCc1ccc2c(c1)CCC(C1CCC3CC(/C=C/F)CCC3C1)C2.
What is the InChIKey of 6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AVORJSWESWWSRD-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H33F/c1-2-17-3-5-21-15-23(9-7-19(21)13-17)24-10-8-20-14-18(11-12-25)4-6-22(20)16-24/h3,5,11-13,18,20,22-24H,2,4,6-10,14-16H2,1H3/b12-11+.
What are the key properties of 6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene?
6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 340.53 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 22383483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).