2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone

C11H9F3O2 — CID 156700420

IUPAC2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone
SMILESC=CC(O)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H9F3O2/c1-2-9(15)7-3-5-8(6-4-7)10(16)11(12,13)14/h2-6,9,15H,1H2
InChIKeyRRHRPCZNCWQMCX-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.65
Rot. Bonds3

About 2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone

2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone (PubChem CID 156700420) has the molecular formula C11H9F3O2 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone
PubChem CID156700420
Molecular FormulaC11H9F3O2
Molecular Weight230.18 g/mol
Exact Mass230.06
IUPAC Name2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone
SMILESC=CC(O)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H9F3O2/c1-2-9(15)7-3-5-8(6-4-7)10(16)11(12,13)14/h2-6,9,15H,1H2
InChIKeyRRHRPCZNCWQMCX-UHFFFAOYSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone (CID 156700420) is 2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone is C=CC(O)c1ccc(C(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone?
The InChIKey is RRHRPCZNCWQMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2/c1-2-9(15)7-3-5-8(6-4-7)10(16)11(12,13)14/h2-6,9,15H,1H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone?
2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone has a molecular weight of 230.18 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone is sourced from PubChem (CID 156700420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).