5,5,5-trifluoropent-1-en-3-one

C5H5F3O — CID 12622108

IUPAC5,5,5-trifluoropent-1-en-3-one
SMILESC=CC(=O)CC(F)(F)F
InChIInChI=1S/C5H5F3O/c1-2-4(9)3-5(6,7)8/h2H,1,3H2
InChIKeyWRYDZANLTJJLDW-UHFFFAOYSA-N
MW138.09 g/mol
LogP1.69
Rot. Bonds2

About 5,5,5-trifluoropent-1-en-3-one

5,5,5-trifluoropent-1-en-3-one (PubChem CID 12622108) has the molecular formula C5H5F3O and a molecular weight of 138.09 g/mol. Its IUPAC name is 5,5,5-trifluoropent-1-en-3-one.

Molecular Properties

Compound Name5,5,5-trifluoropent-1-en-3-one
PubChem CID12622108
Molecular FormulaC5H5F3O
Molecular Weight138.09 g/mol
Exact Mass138.03
IUPAC Name5,5,5-trifluoropent-1-en-3-one
SMILESC=CC(=O)CC(F)(F)F
InChIInChI=1S/C5H5F3O/c1-2-4(9)3-5(6,7)8/h2H,1,3H2
InChIKeyWRYDZANLTJJLDW-UHFFFAOYSA-N
XLogP1.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5,5,6,6,7,7,7-heptafluorohept-1-en-3-one
CID 101061055
5-amino-5-hydroxyhex-1-en-3-one
CID 87129964
5,5,5-trimethoxypent-1-en-3-one
CID 150427628
3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
CID 176847603
(Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one
CID 162622966
N-ethenyl-5,5,5-trifluoropent-1-en-3-imine
CID 146740408
5,5-bis(2-aminoethoxy)nona-1,8-diene-3,7-dione
CID 88599703
1,1,1,7,7,7-hexafluoroheptane-3,5-dione
CID 130398258
ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane
CID 175354998
5-hydroxyhepta-1,6-dien-3-one
CID 157461743
4,4-difluoropent-1-en-3-one
CID 89392918
cesium 3,3,3-trifluoropropanoate
CID 171782209

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoropent-1-en-3-one?
The IUPAC name of 5,5,5-trifluoropent-1-en-3-one (CID 12622108) is 5,5,5-trifluoropent-1-en-3-one.
What is the SMILES notation for 5,5,5-trifluoropent-1-en-3-one?
The canonical SMILES for 5,5,5-trifluoropent-1-en-3-one is C=CC(=O)CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoropent-1-en-3-one?
The InChIKey is WRYDZANLTJJLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O/c1-2-4(9)3-5(6,7)8/h2H,1,3H2.
What are the key properties of 5,5,5-trifluoropent-1-en-3-one?
5,5,5-trifluoropent-1-en-3-one has a molecular weight of 138.09 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropent-1-en-3-one is sourced from PubChem (CID 12622108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).