ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone

C14H17F3O — CID 144759279

IUPACethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone
SMILESC=C.C=Cc1ccccc1C(=O)C(F)(F)F.CC
InChIInChI=1S/C10H7F3O.C2H6.C2H4/c1-2-7-5-3-4-6-8(7)9(14)10(11,12)13;2*1-2/h2-6H,1H2;1-2H3;1-2H2
InChIKeyBHIOVKKRWBMAHM-UHFFFAOYSA-N
MW258.28 g/mol
LogP4.90
Rot. Bonds2

About ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone

ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone (PubChem CID 144759279) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Nameethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone
PubChem CID144759279
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Nameethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone
SMILESC=C.C=Cc1ccccc1C(=O)C(F)(F)F.CC
InChIInChI=1S/C10H7F3O.C2H6.C2H4/c1-2-7-5-3-4-6-8(7)9(14)10(11,12)13;2*1-2/h2-6H,1H2;1-2H3;1-2H2
InChIKeyBHIOVKKRWBMAHM-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173313975
CID 173313975
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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone?
The IUPAC name of ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone (CID 144759279) is ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone.
What is the SMILES notation for ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone?
The canonical SMILES for ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone is C=C.C=Cc1ccccc1C(=O)C(F)(F)F.CC.
What is the InChIKey of ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone?
The InChIKey is BHIOVKKRWBMAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O.C2H6.C2H4/c1-2-7-5-3-4-6-8(7)9(14)10(11,12)13;2*1-2/h2-6H,1H2;1-2H3;1-2H2.
What are the key properties of ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone?
ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone has a molecular weight of 258.28 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 144759279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).