(Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one

C13H16FNO2 — CID 11958826

IUPAC(Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one
SMILESCC(Oc1ccc(F)cc1)C(=O)/C=C\N(C)C
InChIInChI=1S/C13H16FNO2/c1-10(13(16)8-9-15(2)3)17-12-6-4-11(14)5-7-12/h4-10H,1-3H3/b9-8-
InChIKeySIJZGDNPBRHVBR-HJWRWDBZSA-N
MW237.27 g/mol
LogP2.24
Rot. Bonds5

About (Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one

(Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one (PubChem CID 11958826) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one
PubChem CID11958826
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one
SMILESCC(Oc1ccc(F)cc1)C(=O)/C=C\N(C)C
InChIInChI=1S/C13H16FNO2/c1-10(13(16)8-9-15(2)3)17-12-6-4-11(14)5-7-12/h4-10H,1-3H3/b9-8-
InChIKeySIJZGDNPBRHVBR-HJWRWDBZSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one?
The IUPAC name of (Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one (CID 11958826) is (Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one.
What is the SMILES notation for (Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one?
The canonical SMILES for (Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one is CC(Oc1ccc(F)cc1)C(=O)/C=C\N(C)C.
What is the InChIKey of (Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one?
The InChIKey is SIJZGDNPBRHVBR-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-10(13(16)8-9-15(2)3)17-12-6-4-11(14)5-7-12/h4-10H,1-3H3/b9-8-.
What are the key properties of (Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one?
(Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one has a molecular weight of 237.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(dimethylamino)-4-(4-fluorophenoxy)pent-1-en-3-one is sourced from PubChem (CID 11958826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).