[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene

C11H11F3O — CID 10878552

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

About [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene

[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene (PubChem CID 10878552) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene
PubChem CID10878552
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene
SMILESCCO/C(=C\c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
InChIKeyXNECZCDJGYIIFZ-NTMALXAHSA-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

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[(E)-2-Methoxyethenyl]benzene
CID 107588
(E)-beta-Methoxy-alpha-methylstyrene
CID 3034642
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CID 10727923
1-Methoxy-2-[4-(trifluoromethyl)phenyl]ethene
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(3-Ethoxy-3,3-difluoro-1-propenyl)benzene
CID 5387445
(Z)-(3-Chloro-2-ethoxy-3,3-difluoro-propenyl)-benzene
CID 10889799
(4,4-Difluoro-3-methoxy-but-3-enyl)-benzene
CID 10943449
propan-2-yl (E)-2,2-difluoro-4-phenylbut-3-enoate
CID 11085876
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CID 11097185

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene?
The IUPAC name of [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene (CID 10878552) is [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene.
What is the SMILES notation for [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene?
The canonical SMILES for [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene is CCO/C(=C\c1ccccc1)C(F)(F)F.
What is the InChIKey of [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene?
The InChIKey is XNECZCDJGYIIFZ-NTMALXAHSA-N. The full InChI is InChI=1S/C11H11F3O/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-.
What are the key properties of [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene?
[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]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 [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene is sourced from PubChem (CID 10878552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).