(Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one

C11H10F3NO — CID 6069523

IUPAC(Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one
SMILESCN/C(=C\C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F3NO/c1-15-9(7-10(16)11(12,13)14)8-5-3-2-4-6-8/h2-7,15H,1H3/b9-7-
InChIKeyHKUZFBSICATNEK-CLFYSBASSA-N
MW229.20 g/mol
LogP2.38
Rot. Bonds3

About (Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one

(Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one (PubChem CID 6069523) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one
PubChem CID6069523
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name(Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one
SMILESCN/C(=C\C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F3NO/c1-15-9(7-10(16)11(12,13)14)8-5-3-2-4-6-8/h2-7,15H,1H3/b9-7-
InChIKeyHKUZFBSICATNEK-CLFYSBASSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.38
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

3-(Benzylamino)cyclohex-2-en-1-one
CID 319575
3-Benzylamino-5,5-dimethyl-cyclohex-2-enone
CID 288323
2-Cyclohexenone, 3-(3-trifluoromethylbenzylamino)-5,5-dimethyl-
CID 611354
3-(Tert-butylamino)-4-[(2,4-difluorophenyl)methylamino]cyclobut-3-ene-1,2-dione
CID 10541804
3-(Tert-butylamino)-4-[(2,5-difluorophenyl)methylamino]cyclobut-3-ene-1,2-dione
CID 10637524
3-(Tert-butylamino)-4-[(2,6-difluorophenyl)methylamino]cyclobut-3-ene-1,2-dione
CID 10803707
2-(Benzylamino)cyclohepta-2,4,6-trien-1-one
CID 794007
(E)-4-[benzyl(methyl)amino]-1,1,1-trifluoro-3-buten-2-one
CID 5898736
(E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one
CID 6183943
3-[[4-Fluoro-3-(trifluoromethyl)phenyl]methylamino]-5-(trifluoromethyl)cyclohex-2-en-1-one
CID 155518350
3-[(2,5-Difluorophenyl)methylamino]-5-(trifluoromethyl)cyclohex-2-en-1-one
CID 155565073
(3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one
CID 1711911

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one?
The IUPAC name of (Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one (CID 6069523) is (Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one is CN/C(=C\C(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one?
The InChIKey is HKUZFBSICATNEK-CLFYSBASSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-15-9(7-10(16)11(12,13)14)8-5-3-2-4-6-8/h2-7,15H,1H3/b9-7-.
What are the key properties of (Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one?
(Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one has a molecular weight of 229.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-(methylamino)-4-phenylbut-3-en-2-one is sourced from PubChem (CID 6069523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).