2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene

C23H30F2 — CID 20808608

IUPAC2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc2c(c1)CCC(C1CCC3C[C@H](C=C(F)F)CC[C@@H]3C1)C2
InChIInChI=1S/C23H30F2/c1-15-2-4-19-13-21(8-6-17(19)10-15)22-9-7-18-11-16(12-23(24)25)3-5-20(18)14-22/h2,4,10,12,16,18,20-22H,3,5-9,11,13-14H2,1H3/t16-,18?,20-,21?,22?/m1/s1
InChIKeyLXVZZEIBHYDWCP-UFXMDQLRSA-N
MW344.49 g/mol
LogP6.71
Rot. Bonds2

About 2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene

2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 20808608) has the molecular formula C23H30F2 and a molecular weight of 344.49 g/mol. Its IUPAC name is 2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID20808608
Molecular FormulaC23H30F2
Molecular Weight344.49 g/mol
Exact Mass344.23
IUPAC Name2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc2c(c1)CCC(C1CCC3C[C@H](C=C(F)F)CC[C@@H]3C1)C2
InChIInChI=1S/C23H30F2/c1-15-2-4-19-13-21(8-6-17(19)10-15)22-9-7-18-11-16(12-23(24)25)3-5-20(18)14-22/h2,4,10,12,16,18,20-22H,3,5-9,11,13-14H2,1H3/t16-,18?,20-,21?,22?/m1/s1
InChIKeyLXVZZEIBHYDWCP-UFXMDQLRSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.49
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene (CID 20808608) is 2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene is Cc1ccc2c(c1)CCC(C1CCC3C[C@H](C=C(F)F)CC[C@@H]3C1)C2.
What is the InChIKey of 2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LXVZZEIBHYDWCP-UFXMDQLRSA-N. The full InChI is InChI=1S/C23H30F2/c1-15-2-4-19-13-21(8-6-17(19)10-15)22-9-7-18-11-16(12-23(24)25)3-5-20(18)14-22/h2,4,10,12,16,18,20-22H,3,5-9,11,13-14H2,1H3/t16-,18?,20-,21?,22?/m1/s1.
What are the key properties of 2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene?
2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 344.49 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 20808608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).