(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one

C15H12FNO — CID 102206205

IUPAC(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
SMILESN/C(=C\C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H12FNO/c16-13-8-6-12(7-9-13)15(18)10-14(17)11-4-2-1-3-5-11/h1-10H,17H2/b14-10-
InChIKeySWGAVFMGNZQQOH-UVTDQMKNSA-N
MW241.27 g/mol
LogP3.01
Rot. Bonds3

About (Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one

(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one (PubChem CID 102206205) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is (Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
PubChem CID102206205
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
SMILESN/C(=C\C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H12FNO/c16-13-8-6-12(7-9-13)15(18)10-14(17)11-4-2-1-3-5-11/h1-10H,17H2/b14-10-
InChIKeySWGAVFMGNZQQOH-UVTDQMKNSA-N
XLogP3.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.01
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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Related Compounds

(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
CID 173426238
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 102206203
(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701
1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione
CID 2801867
[(Z)-1-(4-fluorophenyl)-3-oxo-3-phenylprop-1-enyl] thiocyanate
CID 139188060
(4-fluorophenyl)-phenylmethanone
CID 161464622
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875
(Z)-4-amino-1,1,1-trifluoro-4-phenylbut-3-en-2-one
CID 5372882

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one (CID 102206205) is (Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one is N/C(=C\C(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one?
The InChIKey is SWGAVFMGNZQQOH-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H12FNO/c16-13-8-6-12(7-9-13)15(18)10-14(17)11-4-2-1-3-5-11/h1-10H,17H2/b14-10-.
What are the key properties of (Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one?
(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one has a molecular weight of 241.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 102206205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).