(1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene

C19H25F3O2 — CID 134255763

IUPAC(1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene
SMILESCOc1cc(OC)c(/C2=C/CCCCCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H25F3O2/c1-23-15-12-16(19(20,21)22)18(17(13-15)24-2)14-10-8-6-4-3-5-7-9-11-14/h10,12-13H,3-9,11H2,1-2H3/b14-10+
InChIKeyYIWOEUIDJZOUEP-GXDHUFHOSA-N
MW342.40 g/mol
LogP6.24
Rot. Bonds3

About (1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene

(1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene (PubChem CID 134255763) has the molecular formula C19H25F3O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene.

Molecular Properties

Compound Name(1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene
PubChem CID134255763
Molecular FormulaC19H25F3O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene
SMILESCOc1cc(OC)c(/C2=C/CCCCCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H25F3O2/c1-23-15-12-16(19(20,21)22)18(17(13-15)24-2)14-10-8-6-4-3-5-7-9-11-14/h10,12-13H,3-9,11H2,1-2H3/b14-10+
InChIKeyYIWOEUIDJZOUEP-GXDHUFHOSA-N
XLogP6.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene?
The IUPAC name of (1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene (CID 134255763) is (1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene.
What is the SMILES notation for (1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene?
The canonical SMILES for (1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene is COc1cc(OC)c(/C2=C/CCCCCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of (1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene?
The InChIKey is YIWOEUIDJZOUEP-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H25F3O2/c1-23-15-12-16(19(20,21)22)18(17(13-15)24-2)14-10-8-6-4-3-5-7-9-11-14/h10,12-13H,3-9,11H2,1-2H3/b14-10+.
What are the key properties of (1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene?
(1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene has a molecular weight of 342.40 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[2,4-dimethoxy-6-(trifluoromethyl)phenyl]cyclodecene is sourced from PubChem (CID 134255763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).