2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene

C12H14F2O2 — CID 90128758

IUPAC2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene
SMILESC/C=C/Oc1ccc(CCOC)c(F)c1F
InChIInChI=1S/C12H14F2O2/c1-3-7-16-10-5-4-9(6-8-15-2)11(13)12(10)14/h3-5,7H,6,8H2,1-2H3/b7-3+
InChIKeyMRMIVSAKHSHMNI-XVNBXDOJSA-N
MW228.24 g/mol
LogP3.07
Rot. Bonds5

About 2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene

2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene (PubChem CID 90128758) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene
PubChem CID90128758
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene
SMILESC/C=C/Oc1ccc(CCOC)c(F)c1F
InChIInChI=1S/C12H14F2O2/c1-3-7-16-10-5-4-9(6-8-15-2)11(13)12(10)14/h3-5,7H,6,8H2,1-2H3/b7-3+
InChIKeyMRMIVSAKHSHMNI-XVNBXDOJSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene?
The IUPAC name of 2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene (CID 90128758) is 2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene.
What is the SMILES notation for 2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene?
The canonical SMILES for 2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene is C/C=C/Oc1ccc(CCOC)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene?
The InChIKey is MRMIVSAKHSHMNI-XVNBXDOJSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-3-7-16-10-5-4-9(6-8-15-2)11(13)12(10)14/h3-5,7H,6,8H2,1-2H3/b7-3+.
What are the key properties of 2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene?
2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene has a molecular weight of 228.24 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene is sourced from PubChem (CID 90128758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).