(Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one

C10H10FNO — CID 56837866

IUPAC(Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one
SMILESCN/C=C\C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO/c1-12-7-6-10(13)8-2-4-9(11)5-3-8/h2-7,12H,1H3/b7-6-
InChIKeyDNXLVARVMZKPEB-SREVYHEPSA-N
MW179.19 g/mol
LogP1.74
Rot. Bonds3

About (Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one

(Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one (PubChem CID 56837866) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one
PubChem CID56837866
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one
SMILESCN/C=C\C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO/c1-12-7-6-10(13)8-2-4-9(11)5-3-8/h2-7,12H,1H3/b7-6-
InChIKeyDNXLVARVMZKPEB-SREVYHEPSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 5374477
(E)-3-Dimethylamino-1-phenyl-propenone
CID 5398495
4-Fluoromethcathinone
CID 49853406
3'-Fluoromethcathinone
CID 53415330
(2E)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 5398493
(E)-1-(2,6-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 5713838
3-(Dimethylamino)-1-(4-fluorophenyl)propan-1-one hydrochloride
CID 12322791
2-Methylamino-1-phenyl-ethanone hydrochloride
CID 12239839
4-Fluoropentedrone
CID 132278123
(E)-3-(dimethylamino)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-propen-1-one
CID 5707302
3-(Dimethylamino)-1-(4-propylphenyl)-2-propen-1-one
CID 5921272
4-Dimethylamino-1-(4-fluoro-phenyl)-butan-1-one
CID 14968311

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one?
The IUPAC name of (Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one (CID 56837866) is (Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one is CN/C=C\C(=O)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one?
The InChIKey is DNXLVARVMZKPEB-SREVYHEPSA-N. The full InChI is InChI=1S/C10H10FNO/c1-12-7-6-10(13)8-2-4-9(11)5-3-8/h2-7,12H,1H3/b7-6-.
What are the key properties of (Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one?
(Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one has a molecular weight of 179.19 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-3-(methylamino)prop-2-en-1-one is sourced from PubChem (CID 56837866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).