5,5-difluoro-2-methylpent-1-en-3-one

C6H8F2O — CID 20610393

IUPAC5,5-difluoro-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CC(F)F
InChIInChI=1S/C6H8F2O/c1-4(2)5(9)3-6(7)8/h6H,1,3H2,2H3
InChIKeyHNZGHYLYHAOVIS-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.79
Rot. Bonds3

About 5,5-difluoro-2-methylpent-1-en-3-one

5,5-difluoro-2-methylpent-1-en-3-one (PubChem CID 20610393) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 5,5-difluoro-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name5,5-difluoro-2-methylpent-1-en-3-one
PubChem CID20610393
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name5,5-difluoro-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CC(F)F
InChIInChI=1S/C6H8F2O/c1-4(2)5(9)3-6(7)8/h6H,1,3H2,2H3
InChIKeyHNZGHYLYHAOVIS-UHFFFAOYSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.79
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

6,6-difluoro-2-methylhex-1-en-3-one
CID 138702375
5-hydroxy-6-methoxy-2-methylhex-1-en-3-one
CID 90779314
6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione
CID 159462931
(E)-1,1,6,6-tetrafluoro-3,4-dimethylhex-3-ene
CID 89314367
2,5-dimethylhexa-1,5-dien-3-one
CID 20789946
(5-methyl-4-oxohex-5-en-2-yl) dihydrogen phosphate
CID 87557612
6-amino-5-[(2-aminoethylamino)methyl]-2-methylhex-1-en-3-one
CID 89312677
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+)
CID 175340014
N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89332583
2-methylprop-2-enoate
CID 19005746
benzene;bis(2-methylpent-1-en-3-one)
CID 160638485

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methylpent-1-en-3-one?
The IUPAC name of 5,5-difluoro-2-methylpent-1-en-3-one (CID 20610393) is 5,5-difluoro-2-methylpent-1-en-3-one.
What is the SMILES notation for 5,5-difluoro-2-methylpent-1-en-3-one?
The canonical SMILES for 5,5-difluoro-2-methylpent-1-en-3-one is C=C(C)C(=O)CC(F)F.
What is the InChIKey of 5,5-difluoro-2-methylpent-1-en-3-one?
The InChIKey is HNZGHYLYHAOVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c1-4(2)5(9)3-6(7)8/h6H,1,3H2,2H3.
What are the key properties of 5,5-difluoro-2-methylpent-1-en-3-one?
5,5-difluoro-2-methylpent-1-en-3-one has a molecular weight of 134.12 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methylpent-1-en-3-one is sourced from PubChem (CID 20610393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).