5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene

C13H13Cl2F3O2 — CID 18725533

IUPAC5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene
SMILESCCc1cc(OCC=C(Cl)Cl)cc(C(F)(F)F)c1OC
InChIInChI=1S/C13H13Cl2F3O2/c1-3-8-6-9(20-5-4-11(14)15)7-10(12(8)19-2)13(16,17)18/h4,6-7H,3,5H2,1-2H3
InChIKeyCPOFZVYNGUBFAG-UHFFFAOYSA-N
MW329.15 g/mol
LogP4.97
Rot. Bonds5

About 5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene

5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene (PubChem CID 18725533) has the molecular formula C13H13Cl2F3O2 and a molecular weight of 329.15 g/mol. Its IUPAC name is 5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene
PubChem CID18725533
Molecular FormulaC13H13Cl2F3O2
Molecular Weight329.15 g/mol
Exact Mass328.02
IUPAC Name5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene
SMILESCCc1cc(OCC=C(Cl)Cl)cc(C(F)(F)F)c1OC
InChIInChI=1S/C13H13Cl2F3O2/c1-3-8-6-9(20-5-4-11(14)15)7-10(12(8)19-2)13(16,17)18/h4,6-7H,3,5H2,1-2H3
InChIKeyCPOFZVYNGUBFAG-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Allyl-4-methoxy-1-propoxybenzene (4c)
CID 24770788
6-Methoxy-2H-1-benzopyran
CID 29052
1,4-Bis(chloromethyl)-2,5-diethoxy-benzene
CID 230529
2,5-Bis(chloromethyl)-1-methoxy-4-(3',7'-dimethyloctyloxy)benzene
CID 5141695
2,6-Bis(chloromethyl)-1,4-dimethoxybenzene
CID 44629789
2-Allyl-1-ethoxy-4-methoxybenzene (4b)
CID 24770153
2-Allyl-1-butoxy-4-methoxybenzene (4e)
CID 24770791
2-Allyl-1-isopropoxy-4-methoxybenzene (4d)
CID 52913561
2-Allyl-1-sec-butoxy-4-methoxybenzene (4f)
CID 129010802
2-Allyl-1-isobutoxy-4-methoxybenzene (4g)
CID 129010803
4-Methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770797
1-Methoxy-2-prop-2-enyl-4-propoxybenzene
CID 24770094

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene?
The IUPAC name of 5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene (CID 18725533) is 5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene is CCc1cc(OCC=C(Cl)Cl)cc(C(F)(F)F)c1OC.
What is the InChIKey of 5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene?
The InChIKey is CPOFZVYNGUBFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2F3O2/c1-3-8-6-9(20-5-4-11(14)15)7-10(12(8)19-2)13(16,17)18/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene?
5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene has a molecular weight of 329.15 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 18725533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).