4,6-difluoro-2-methylhex-1-en-3-one

C7H10F2O — CID 170010905

IUPAC4,6-difluoro-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)C(F)CCF
InChIInChI=1S/C7H10F2O/c1-5(2)7(10)6(9)3-4-8/h6H,1,3-4H2,2H3
InChIKeyVGAQXZYRBBEBDC-UHFFFAOYSA-N
MW148.15 g/mol
LogP1.83
Rot. Bonds4

About 4,6-difluoro-2-methylhex-1-en-3-one

4,6-difluoro-2-methylhex-1-en-3-one (PubChem CID 170010905) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 4,6-difluoro-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name4,6-difluoro-2-methylhex-1-en-3-one
PubChem CID170010905
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name4,6-difluoro-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)C(F)CCF
InChIInChI=1S/C7H10F2O/c1-5(2)7(10)6(9)3-4-8/h6H,1,3-4H2,2H3
InChIKeyVGAQXZYRBBEBDC-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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

1-Penten-3-one, 2-methyl-
CID 32777
5-Methyl-3-methylidenehex-5-en-2-one
CID 103953
3-Buten-2-one, 3-ethyl-
CID 537121
2,4-Dimethylpenta-1,4-dien-3-one
CID 14723611
4-(Difluoromethylidene)-2-methyloct-1-en-3-one
CID 10012699
3-Propyl-3-buten-2-one
CID 12288567
Ethylpropylacrolein
CID 13140441
2-Fluorohept-1-en-3-one
CID 12865320
4-Methyl-3-methylene-4-penten-2-one
CID 20374522
5,5-Difluoro-2-methylpent-1-en-3-one
CID 20610393
2-(Trifluoromethyl)hex-1-en-3-one
CID 20802289
2-(Trifluoromethyl)pent-1-en-3-one
CID 20802290

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-methylhex-1-en-3-one?
The IUPAC name of 4,6-difluoro-2-methylhex-1-en-3-one (CID 170010905) is 4,6-difluoro-2-methylhex-1-en-3-one.
What is the SMILES notation for 4,6-difluoro-2-methylhex-1-en-3-one?
The canonical SMILES for 4,6-difluoro-2-methylhex-1-en-3-one is C=C(C)C(=O)C(F)CCF.
What is the InChIKey of 4,6-difluoro-2-methylhex-1-en-3-one?
The InChIKey is VGAQXZYRBBEBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c1-5(2)7(10)6(9)3-4-8/h6H,1,3-4H2,2H3.
What are the key properties of 4,6-difluoro-2-methylhex-1-en-3-one?
4,6-difluoro-2-methylhex-1-en-3-one has a molecular weight of 148.15 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-methylhex-1-en-3-one is sourced from PubChem (CID 170010905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).