6,6-difluoro-2-methylhex-1-en-3-one

C7H10F2O — CID 138702375

IUPAC6,6-difluoro-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC(F)F
InChIInChI=1S/C7H10F2O/c1-5(2)6(10)3-4-7(8)9/h7H,1,3-4H2,2H3
InChIKeySPILKYKJCBIGFU-UHFFFAOYSA-N
MW148.15 g/mol
LogP2.18
Rot. Bonds4

About 6,6-difluoro-2-methylhex-1-en-3-one

6,6-difluoro-2-methylhex-1-en-3-one (PubChem CID 138702375) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 6,6-difluoro-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6,6-difluoro-2-methylhex-1-en-3-one
PubChem CID138702375
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name6,6-difluoro-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC(F)F
InChIInChI=1S/C7H10F2O/c1-5(2)6(10)3-4-7(8)9/h7H,1,3-4H2,2H3
InChIKeySPILKYKJCBIGFU-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,6-difluoro-2-methylhex-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione
CID 159462931
5,5-difluoro-2-methylpent-1-en-3-one
CID 20610393
5,5-difluoro-2-methylidenepentanoic acid
CID 23143942
2-methyloct-1-en-3-one
CID 12585814
benzene;bis(2-methylpent-1-en-3-one)
CID 160638485
N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89332583
2-methyltridec-1-en-3-one
CID 91110358
2-methylnonadec-1-en-3-one
CID 150628128
2-methylhentriacont-1-en-3-one
CID 153436335
6,6-difluoro-2-methylhept-1-en-3-one
CID 123315097
ethane;2-methyldodec-1-en-3-one
CID 143443601
6-amino-2-methyl-6-phenylhex-1-en-3-one
CID 116570824

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-methylhex-1-en-3-one?
The IUPAC name of 6,6-difluoro-2-methylhex-1-en-3-one (CID 138702375) is 6,6-difluoro-2-methylhex-1-en-3-one.
What is the SMILES notation for 6,6-difluoro-2-methylhex-1-en-3-one?
The canonical SMILES for 6,6-difluoro-2-methylhex-1-en-3-one is C=C(C)C(=O)CCC(F)F.
What is the InChIKey of 6,6-difluoro-2-methylhex-1-en-3-one?
The InChIKey is SPILKYKJCBIGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c1-5(2)6(10)3-4-7(8)9/h7H,1,3-4H2,2H3.
What are the key properties of 6,6-difluoro-2-methylhex-1-en-3-one?
6,6-difluoro-2-methylhex-1-en-3-one has a molecular weight of 148.15 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-methylhex-1-en-3-one is sourced from PubChem (CID 138702375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).