2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene

C11H10ClF3O2 — CID 54224598

IUPAC2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1C=C(Cl)C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c1-16-8-4-3-5-9(17-2)7(8)6-10(12)11(13,14)15/h3-6H,1-2H3
InChIKeyQEYZTAWGQRELBK-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.85
Rot. Bonds3

About 2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene

2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene (PubChem CID 54224598) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is 2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene
PubChem CID54224598
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1C=C(Cl)C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c1-16-8-4-3-5-9(17-2)7(8)6-10(12)11(13,14)15/h3-6H,1-2H3
InChIKeyQEYZTAWGQRELBK-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene?
The IUPAC name of 2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene (CID 54224598) is 2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene.
What is the SMILES notation for 2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene?
The canonical SMILES for 2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene is COc1cccc(OC)c1C=C(Cl)C(F)(F)F.
What is the InChIKey of 2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene?
The InChIKey is QEYZTAWGQRELBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c1-16-8-4-3-5-9(17-2)7(8)6-10(12)11(13,14)15/h3-6H,1-2H3.
What are the key properties of 2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene?
2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene has a molecular weight of 266.65 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene is sourced from PubChem (CID 54224598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).