(Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one

C13H13F4NO — CID 12734388

IUPAC(Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one
SMILESCN(C)/C(=C\C(=O)C(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C13H13F4NO/c1-18(2)10(9-6-4-3-5-7-9)8-11(19)13(16,17)12(14)15/h3-8,12H,1-2H3/b10-8-
InChIKeyZPMKRJWLJBRULU-NTMALXAHSA-N
MW275.25 g/mol
LogP3.06
Rot. Bonds5

About (Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one

(Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one (PubChem CID 12734388) has the molecular formula C13H13F4NO and a molecular weight of 275.25 g/mol. Its IUPAC name is (Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one
PubChem CID12734388
Molecular FormulaC13H13F4NO
Molecular Weight275.25 g/mol
Exact Mass275.09
IUPAC Name(Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one
SMILESCN(C)/C(=C\C(=O)C(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C13H13F4NO/c1-18(2)10(9-6-4-3-5-7-9)8-11(19)13(16,17)12(14)15/h3-8,12H,1-2H3/b10-8-
InChIKeyZPMKRJWLJBRULU-NTMALXAHSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one
CID 13495526
4-(4-chloro-3-phenylmethoxyphenyl)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 175042650
(E)-6,6,7,7-tetrafluoro-3-methyl-1-phenylhept-2-en-1-one
CID 122371780
N,N-dimethyl-1-phenylbut-1-en-1-amine
CID 154209474
(E)-4-(dimethylamino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 132542566
(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 5366057
N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide
CID 103733000
(Z)-1-hydroxy-4,4-dimethyl-1-phenylhex-1-en-3-one
CID 140592896
(Z)-1,1,2,2-tetrafluoro-6-methyl-5-sulfanylhept-4-en-3-one
CID 5463572
iron;tris((Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one)
CID 50930578
(E)-3-(dimethylamino)-1-phenylbut-2-en-1-one
CID 11019632
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732007

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one?
The IUPAC name of (Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one (CID 12734388) is (Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one.
What is the SMILES notation for (Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one?
The canonical SMILES for (Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one is CN(C)/C(=C\C(=O)C(F)(F)C(F)F)c1ccccc1.
What is the InChIKey of (Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one?
The InChIKey is ZPMKRJWLJBRULU-NTMALXAHSA-N. The full InChI is InChI=1S/C13H13F4NO/c1-18(2)10(9-6-4-3-5-7-9)8-11(19)13(16,17)12(14)15/h3-8,12H,1-2H3/b10-8-.
What are the key properties of (Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one?
(Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one has a molecular weight of 275.25 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one is sourced from PubChem (CID 12734388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).