(Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one

C9H16FNO — CID 135165376

IUPAC(Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one
SMILESCC(C)C(=O)/C(F)=C/CN(C)C
InChIInChI=1S/C9H16FNO/c1-7(2)9(12)8(10)5-6-11(3)4/h5,7H,6H2,1-4H3/b8-5-
InChIKeyGORZOFJNXOZALT-YVMONPNESA-N
MW173.23 g/mol
LogP1.63
Rot. Bonds4

About (Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one

(Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one (PubChem CID 135165376) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name(Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one
PubChem CID135165376
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one
SMILESCC(C)C(=O)/C(F)=C/CN(C)C
InChIInChI=1S/C9H16FNO/c1-7(2)9(12)8(10)5-6-11(3)4/h5,7H,6H2,1-4H3/b8-5-
InChIKeyGORZOFJNXOZALT-YVMONPNESA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one?
The IUPAC name of (Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one (CID 135165376) is (Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one.
What is the SMILES notation for (Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one?
The canonical SMILES for (Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one is CC(C)C(=O)/C(F)=C/CN(C)C.
What is the InChIKey of (Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one?
The InChIKey is GORZOFJNXOZALT-YVMONPNESA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(2)9(12)8(10)5-6-11(3)4/h5,7H,6H2,1-4H3/b8-5-.
What are the key properties of (Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one?
(Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one has a molecular weight of 173.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one is sourced from PubChem (CID 135165376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).