ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one

C8H15FO — CID 162375654

IUPACethane;(Z)-4-fluoro-3-methylpent-3-en-2-one
SMILESCC.CC(=O)/C(C)=C(/C)F
InChIInChI=1S/C6H9FO.C2H6/c1-4(5(2)7)6(3)8;1-2/h1-3H3;1-2H3/b5-4-;
InChIKeyQMDFLRKRPMNCJB-MKWAYWHRSA-N
MW146.20 g/mol
LogP2.87
Rot. Bonds1

About ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one

ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one (PubChem CID 162375654) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one.

Molecular Properties

Compound Nameethane;(Z)-4-fluoro-3-methylpent-3-en-2-one
PubChem CID162375654
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Nameethane;(Z)-4-fluoro-3-methylpent-3-en-2-one
SMILESCC.CC(=O)/C(C)=C(/C)F
InChIInChI=1S/C6H9FO.C2H6/c1-4(5(2)7)6(3)8;1-2/h1-3H3;1-2H3/b5-4-;
InChIKeyQMDFLRKRPMNCJB-MKWAYWHRSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 52.87
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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one?
The IUPAC name of ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one (CID 162375654) is ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one.
What is the SMILES notation for ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one?
The canonical SMILES for ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one is CC.CC(=O)/C(C)=C(/C)F.
What is the InChIKey of ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one?
The InChIKey is QMDFLRKRPMNCJB-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H9FO.C2H6/c1-4(5(2)7)6(3)8;1-2/h1-3H3;1-2H3/b5-4-;.
What are the key properties of ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one?
ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one has a molecular weight of 146.20 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one is sourced from PubChem (CID 162375654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).