[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene

C11H11F3O — CID 10751192

IUPAC[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene
SMILESCCO/C=C(\c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O/c1-2-15-8-10(11(12,13)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKeyJFNJGWHVHDNVRJ-CSKARUKUSA-N
MW216.20 g/mol
LogP3.63
Rot. Bonds3

About [(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene

[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene (PubChem CID 10751192) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is [(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene
PubChem CID10751192
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene
SMILESCCO/C=C(\c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O/c1-2-15-8-10(11(12,13)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKeyJFNJGWHVHDNVRJ-CSKARUKUSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.63
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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Related Compounds

Ethyl styryl ether
CID 5383414
1-Propen-1-ol, 2-phenyl-, 1-acetate, (1E)-
CID 2753159
Benzene, (2-methoxyethenyl)-
CID 5368493
1-Propen-1-ol, 2-phenyl-, 1-acetate, (1Z)-
CID 3036969
(2,2-Difluoropropyl)benzene
CID 285390
(2,2-Difluoroethyl)benzene
CID 422220
Benzene, (3,3-difluoropropyl)-
CID 11829680
(1,1-Difluoroethyl)benzene
CID 10942535
Benzene, (3,3-difluoro-2-propenyl)-
CID 11355602
alpha-Difluoromethylstyrene
CID 12705318
1,1-Difluoro-4-phenylbutane
CID 14909953
3,3,3-Trifluoropropylbenzene
CID 193330

Frequently Asked Questions

What is the IUPAC name of [(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene?
The IUPAC name of [(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene (CID 10751192) is [(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene.
What is the SMILES notation for [(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene?
The canonical SMILES for [(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene is CCO/C=C(\c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene?
The InChIKey is JFNJGWHVHDNVRJ-CSKARUKUSA-N. The full InChI is InChI=1S/C11H11F3O/c1-2-15-8-10(11(12,13)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+.
What are the key properties of [(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene?
[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene has a molecular weight of 216.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]benzene is sourced from PubChem (CID 10751192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).