2,5,5-trifluoropent-1-en-3-one

C5H5F3O — CID 142719100

IUPAC2,5,5-trifluoropent-1-en-3-one
SMILESC=C(F)C(=O)CC(F)F
InChIInChI=1S/C5H5F3O/c1-3(6)4(9)2-5(7)8/h5H,1-2H2
InChIKeyIBIRZSPUNLJVJD-UHFFFAOYSA-N
MW138.09 g/mol
LogP1.69
Rot. Bonds3

About 2,5,5-trifluoropent-1-en-3-one

2,5,5-trifluoropent-1-en-3-one (PubChem CID 142719100) has the molecular formula C5H5F3O and a molecular weight of 138.09 g/mol. Its IUPAC name is 2,5,5-trifluoropent-1-en-3-one.

Molecular Properties

Compound Name2,5,5-trifluoropent-1-en-3-one
PubChem CID142719100
Molecular FormulaC5H5F3O
Molecular Weight138.09 g/mol
Exact Mass138.03
IUPAC Name2,5,5-trifluoropent-1-en-3-one
SMILESC=C(F)C(=O)CC(F)F
InChIInChI=1S/C5H5F3O/c1-3(6)4(9)2-5(7)8/h5H,1-2H2
InChIKeyIBIRZSPUNLJVJD-UHFFFAOYSA-N
XLogP1.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

5,5,5-Trifluoropent-1-en-3-one
CID 12622108
1,1,2-Trifluoropent-1-en-3-one
CID 13697368
1-Fluorovinyl ketone
CID 129652884
4,4,5,5,5-Pentafluoropent-1-en-3-one
CID 15814698
4,4,5,5-Tetrafluoropent-1-en-3-one
CID 121603162
2-Fluoropent-1-en-3-one
CID 12865319
2-Trifluoromethyl-1-buten-3-one
CID 13299819
2-(Trifluoromethyl)pent-1-en-3-one
CID 20802290
4,4-Difluorohexa-1,5-dien-3-one
CID 54144679
(Z)-3,4-difluorobut-3-en-2-one
CID 57789274
4,5,5-Trifluoropent-4-en-2-one
CID 58818971
6,6,6-Trifluorohex-1-en-3-one
CID 71387447

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trifluoropent-1-en-3-one?
The IUPAC name of 2,5,5-trifluoropent-1-en-3-one (CID 142719100) is 2,5,5-trifluoropent-1-en-3-one.
What is the SMILES notation for 2,5,5-trifluoropent-1-en-3-one?
The canonical SMILES for 2,5,5-trifluoropent-1-en-3-one is C=C(F)C(=O)CC(F)F.
What is the InChIKey of 2,5,5-trifluoropent-1-en-3-one?
The InChIKey is IBIRZSPUNLJVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O/c1-3(6)4(9)2-5(7)8/h5H,1-2H2.
What are the key properties of 2,5,5-trifluoropent-1-en-3-one?
2,5,5-trifluoropent-1-en-3-one has a molecular weight of 138.09 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trifluoropent-1-en-3-one is sourced from PubChem (CID 142719100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).