(Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one

C14H10F3NO — CID 46205925

IUPAC(Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one
SMILESN/C(=C\C(=O)c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C14H10F3NO/c15-14(16,17)13(18)8-12(19)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,18H2/b13-8-
InChIKeyYAYAVOSWGDVKIP-JYRVWZFOSA-N
MW265.23 g/mol
LogP3.43
Rot. Bonds2

About (Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one

(Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one (PubChem CID 46205925) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is (Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one
PubChem CID46205925
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name(Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one
SMILESN/C(=C\C(=O)c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C14H10F3NO/c15-14(16,17)13(18)8-12(19)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,18H2/b13-8-
InChIKeyYAYAVOSWGDVKIP-JYRVWZFOSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.43
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)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one?
The IUPAC name of (Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one (CID 46205925) is (Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one.
What is the SMILES notation for (Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one?
The canonical SMILES for (Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one is N/C(=C\C(=O)c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of (Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one?
The InChIKey is YAYAVOSWGDVKIP-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)13(18)8-12(19)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,18H2/b13-8-.
What are the key properties of (Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one?
(Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one has a molecular weight of 265.23 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4,4,4-trifluoro-1-naphthalen-2-ylbut-2-en-1-one is sourced from PubChem (CID 46205925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).