(Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one

C10H15F4NO — CID 12505911

IUPAC(Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one
SMILESCCCC/C(=C/C(=O)C(F)(F)C(F)F)NC
InChIInChI=1S/C10H15F4NO/c1-3-4-5-7(15-2)6-8(16)10(13,14)9(11)12/h6,9,15H,3-5H2,1-2H3/b7-6-
InChIKeyWMTPZKVVDLOGRE-SREVYHEPSA-N
MW241.23 g/mol
LogP2.75
Rot. Bonds7

About (Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one

(Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one (PubChem CID 12505911) has the molecular formula C10H15F4NO and a molecular weight of 241.23 g/mol. Its IUPAC name is (Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one.

Molecular Properties

Compound Name(Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one
PubChem CID12505911
Molecular FormulaC10H15F4NO
Molecular Weight241.23 g/mol
Exact Mass241.11
IUPAC Name(Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one
SMILESCCCC/C(=C/C(=O)C(F)(F)C(F)F)NC
InChIInChI=1S/C10H15F4NO/c1-3-4-5-7(15-2)6-8(16)10(13,14)9(11)12/h6,9,15H,3-5H2,1-2H3/b7-6-
InChIKeyWMTPZKVVDLOGRE-SREVYHEPSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one?
The IUPAC name of (Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one (CID 12505911) is (Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one.
What is the SMILES notation for (Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one?
The canonical SMILES for (Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one is CCCC/C(=C/C(=O)C(F)(F)C(F)F)NC.
What is the InChIKey of (Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one?
The InChIKey is WMTPZKVVDLOGRE-SREVYHEPSA-N. The full InChI is InChI=1S/C10H15F4NO/c1-3-4-5-7(15-2)6-8(16)10(13,14)9(11)12/h6,9,15H,3-5H2,1-2H3/b7-6-.
What are the key properties of (Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one?
(Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one has a molecular weight of 241.23 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one is sourced from PubChem (CID 12505911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).