1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene

C13H16F2O2 — CID 177214079

IUPAC1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene
SMILESC=C(OCC)c1ccccc1COCC(F)F
InChIInChI=1S/C13H16F2O2/c1-3-17-10(2)12-7-5-4-6-11(12)8-16-9-13(14)15/h4-7,13H,2-3,8-9H2,1H3
InChIKeyAWZUGLAFKKLBQD-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.48
Rot. Bonds7

About 1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene

1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene (PubChem CID 177214079) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene.

Molecular Properties

Compound Name1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene
PubChem CID177214079
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene
SMILESC=C(OCC)c1ccccc1COCC(F)F
InChIInChI=1S/C13H16F2O2/c1-3-17-10(2)12-7-5-4-6-11(12)8-16-9-13(14)15/h4-7,13H,2-3,8-9H2,1H3
InChIKeyAWZUGLAFKKLBQD-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene?
The IUPAC name of 1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene (CID 177214079) is 1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene.
What is the SMILES notation for 1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene?
The canonical SMILES for 1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene is C=C(OCC)c1ccccc1COCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene?
The InChIKey is AWZUGLAFKKLBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-3-17-10(2)12-7-5-4-6-11(12)8-16-9-13(14)15/h4-7,13H,2-3,8-9H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene?
1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene has a molecular weight of 242.26 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene is sourced from PubChem (CID 177214079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).