(Z)-4-(3-fluoroanilino)pent-3-en-2-one

C11H12FNO — CID 643947

IUPAC(Z)-4-(3-fluoroanilino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)Nc1cccc(F)c1
InChIInChI=1S/C11H12FNO/c1-8(6-9(2)14)13-11-5-3-4-10(12)7-11/h3-7,13H,1-2H3/b8-6-
InChIKeyXMSPEJYGXPCRSC-VURMDHGXSA-N
MW193.22 g/mol
LogP2.73
Rot. Bonds3

About (Z)-4-(3-fluoroanilino)pent-3-en-2-one

(Z)-4-(3-fluoroanilino)pent-3-en-2-one (PubChem CID 643947) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (Z)-4-(3-fluoroanilino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(3-fluoroanilino)pent-3-en-2-one
PubChem CID643947
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(Z)-4-(3-fluoroanilino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)Nc1cccc(F)c1
InChIInChI=1S/C11H12FNO/c1-8(6-9(2)14)13-11-5-3-4-10(12)7-11/h3-7,13H,1-2H3/b8-6-
InChIKeyXMSPEJYGXPCRSC-VURMDHGXSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-4-(3-fluoroanilino)pent-3-en-2-one?
The IUPAC name of (Z)-4-(3-fluoroanilino)pent-3-en-2-one (CID 643947) is (Z)-4-(3-fluoroanilino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(3-fluoroanilino)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(3-fluoroanilino)pent-3-en-2-one is CC(=O)/C=C(/C)Nc1cccc(F)c1.
What is the InChIKey of (Z)-4-(3-fluoroanilino)pent-3-en-2-one?
The InChIKey is XMSPEJYGXPCRSC-VURMDHGXSA-N. The full InChI is InChI=1S/C11H12FNO/c1-8(6-9(2)14)13-11-5-3-4-10(12)7-11/h3-7,13H,1-2H3/b8-6-.
What are the key properties of (Z)-4-(3-fluoroanilino)pent-3-en-2-one?
(Z)-4-(3-fluoroanilino)pent-3-en-2-one has a molecular weight of 193.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-fluoroanilino)pent-3-en-2-one is sourced from PubChem (CID 643947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).