2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C20H26F2O — CID 144724169

IUPAC2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=Cc1ccc(OCC2CCC3CC(C)CCC3C2)c(F)c1F
InChIInChI=1S/C20H26F2O/c1-3-15-8-9-18(20(22)19(15)21)23-12-14-5-7-16-10-13(2)4-6-17(16)11-14/h3,8-9,13-14,16-17H,1,4-7,10-12H2,2H3
InChIKeyDPZBAIZTWWNLJB-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.84
Rot. Bonds4

About 2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 144724169) has the molecular formula C20H26F2O and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID144724169
Molecular FormulaC20H26F2O
Molecular Weight320.42 g/mol
Exact Mass320.20
IUPAC Name2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=Cc1ccc(OCC2CCC3CC(C)CCC3C2)c(F)c1F
InChIInChI=1S/C20H26F2O/c1-3-15-8-9-18(20(22)19(15)21)23-12-14-5-7-16-10-13(2)4-6-17(16)11-14/h3,8-9,13-14,16-17H,1,4-7,10-12H2,2H3
InChIKeyDPZBAIZTWWNLJB-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 145151818
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
2-butyl-6-[(4-ethoxy-2,3-difluorophenoxy)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967195
1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 139334314
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796
2-[(4-ethyl-2,3-difluorophenoxy)methyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967207
2-[4-[(2,3-difluoro-4-methylphenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967271
2-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967247
2-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967376
2-[(4-butoxy-2,3-difluorophenoxy)methyl]-6-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967334

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 144724169) is 2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C=Cc1ccc(OCC2CCC3CC(C)CCC3C2)c(F)c1F.
What is the InChIKey of 2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is DPZBAIZTWWNLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2O/c1-3-15-8-9-18(20(22)19(15)21)23-12-14-5-7-16-10-13(2)4-6-17(16)11-14/h3,8-9,13-14,16-17H,1,4-7,10-12H2,2H3.
What are the key properties of 2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 320.42 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 144724169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).