2-[3-(trifluoromethyl)phenyl]ethenone

C9H5F3O — CID 13054863

IUPAC2-[3-(trifluoromethyl)phenyl]ethenone
SMILESO=C=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H5F3O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-4,6H
InChIKeyATBBXARGJKROPV-UHFFFAOYSA-N
MW186.13 g/mol
LogP2.55
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]ethenone

2-[3-(trifluoromethyl)phenyl]ethenone (PubChem CID 13054863) has the molecular formula C9H5F3O and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]ethenone.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]ethenone
PubChem CID13054863
Molecular FormulaC9H5F3O
Molecular Weight186.13 g/mol
Exact Mass186.03
IUPAC Name2-[3-(trifluoromethyl)phenyl]ethenone
SMILESO=C=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H5F3O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-4,6H
InChIKeyATBBXARGJKROPV-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene
CID 89386202
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene
CID 177498684
4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
CID 141309127
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843
2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethenone
CID 22613247
3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476262
3-oxo-2-[[3-(trifluoromethyl)phenyl]methylidene]butanoic acid
CID 54484419
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde
CID 122476089

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]ethenone?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]ethenone (CID 13054863) is 2-[3-(trifluoromethyl)phenyl]ethenone.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]ethenone?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]ethenone is O=C=Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]ethenone?
The InChIKey is ATBBXARGJKROPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-4,6H.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]ethenone?
2-[3-(trifluoromethyl)phenyl]ethenone has a molecular weight of 186.13 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]ethenone is sourced from PubChem (CID 13054863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).