(2-ethoxy-1,1-difluoroprop-2-enyl)benzene

C11H12F2O — CID 11106316

IUPAC(2-ethoxy-1,1-difluoroprop-2-enyl)benzene
SMILESC=C(OCC)C(F)(F)c1ccccc1
InChIInChI=1S/C11H12F2O/c1-3-14-9(2)11(12,13)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
InChIKeyGPWWZEJTMZXESI-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.33
Rot. Bonds4

About (2-ethoxy-1,1-difluoroprop-2-enyl)benzene

(2-ethoxy-1,1-difluoroprop-2-enyl)benzene (PubChem CID 11106316) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is (2-ethoxy-1,1-difluoroprop-2-enyl)benzene.

Molecular Properties

Compound Name(2-ethoxy-1,1-difluoroprop-2-enyl)benzene
PubChem CID11106316
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name(2-ethoxy-1,1-difluoroprop-2-enyl)benzene
SMILESC=C(OCC)C(F)(F)c1ccccc1
InChIInChI=1S/C11H12F2O/c1-3-14-9(2)11(12,13)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
InChIKeyGPWWZEJTMZXESI-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2-ethoxy-1,1-difluoroprop-2-enyl)benzene?
The IUPAC name of (2-ethoxy-1,1-difluoroprop-2-enyl)benzene (CID 11106316) is (2-ethoxy-1,1-difluoroprop-2-enyl)benzene.
What is the SMILES notation for (2-ethoxy-1,1-difluoroprop-2-enyl)benzene?
The canonical SMILES for (2-ethoxy-1,1-difluoroprop-2-enyl)benzene is C=C(OCC)C(F)(F)c1ccccc1.
What is the InChIKey of (2-ethoxy-1,1-difluoroprop-2-enyl)benzene?
The InChIKey is GPWWZEJTMZXESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-3-14-9(2)11(12,13)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3.
What are the key properties of (2-ethoxy-1,1-difluoroprop-2-enyl)benzene?
(2-ethoxy-1,1-difluoroprop-2-enyl)benzene has a molecular weight of 198.21 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-1,1-difluoroprop-2-enyl)benzene is sourced from PubChem (CID 11106316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).