(Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one

C6H6F5NO — CID 12869246

IUPAC(Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one
SMILESCC(=O)/C=C(\N)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F5NO/c1-3(13)2-4(12)5(7,8)6(9,10)11/h2H,12H2,1H3/b4-2-
InChIKeyOAPUOVNTMHHIKR-RQOWECAXSA-N
MW203.11 g/mol
LogP1.62
Rot. Bonds2

About (Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one

(Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one (PubChem CID 12869246) has the molecular formula C6H6F5NO and a molecular weight of 203.11 g/mol. Its IUPAC name is (Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one
PubChem CID12869246
Molecular FormulaC6H6F5NO
Molecular Weight203.11 g/mol
Exact Mass203.04
IUPAC Name(Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one
SMILESCC(=O)/C=C(\N)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F5NO/c1-3(13)2-4(12)5(7,8)6(9,10)11/h2H,12H2,1H3/b4-2-
InChIKeyOAPUOVNTMHHIKR-RQOWECAXSA-N
XLogP1.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 51.62
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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Related Compounds

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CID 12586188
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CID 71420956
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CID 73176916
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CID 76223783
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CID 129879546
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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one?
The IUPAC name of (Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one (CID 12869246) is (Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one.
What is the SMILES notation for (Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one?
The canonical SMILES for (Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one is CC(=O)/C=C(\N)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one?
The InChIKey is OAPUOVNTMHHIKR-RQOWECAXSA-N. The full InChI is InChI=1S/C6H6F5NO/c1-3(13)2-4(12)5(7,8)6(9,10)11/h2H,12H2,1H3/b4-2-.
What are the key properties of (Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one?
(Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one has a molecular weight of 203.11 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-5,5,6,6,6-pentafluorohex-3-en-2-one is sourced from PubChem (CID 12869246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).