(Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide

C14H14F6NO6P — CID 23628806

IUPAC(Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide
SMILESCOP(=O)(OC)/C(C(=O)Nc1ccccc1)=C(/O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H14F6NO6P/c1-25-28(24,26-2)9(10(22)21-8-6-4-3-5-7-8)11(23)27-12(13(15,16)17)14(18,19)20/h3-7,12,23H,1-2H3,(H,21,22)/b11-9-
InChIKeyVNPRNTXBCNGIQG-LUAWRHEFSA-N
MW437.23 g/mol
LogP4.35
Rot. Bonds7

About (Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide

(Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide (PubChem CID 23628806) has the molecular formula C14H14F6NO6P and a molecular weight of 437.23 g/mol. Its IUPAC name is (Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide
PubChem CID23628806
Molecular FormulaC14H14F6NO6P
Molecular Weight437.23 g/mol
Exact Mass437.05
IUPAC Name(Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide
SMILESCOP(=O)(OC)/C(C(=O)Nc1ccccc1)=C(/O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H14F6NO6P/c1-25-28(24,26-2)9(10(22)21-8-6-4-3-5-7-8)11(23)27-12(13(15,16)17)14(18,19)20/h3-7,12,23H,1-2H3,(H,21,22)/b11-9-
InChIKeyVNPRNTXBCNGIQG-LUAWRHEFSA-N
XLogP4.35
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.23
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-3-hydroxy-3-methoxy-2-[(4-methylphenyl)carbamoyl]prop-2-enoate
CID 11143860
1,1,1-trifluoropropan-2-yl N-phenylcarbamate
CID 134123596
1,1,3,3,3-pentafluoro-2-(phenylcarbamoyloxy)propane-1-sulfonic acid
CID 129070483
1,1,1,3,3,3-hexafluoropropan-2-yl (2S)-2-benzamido-3,3-dimethylbutanoate
CID 132837205
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
methyl 3-benzamido-4,4,4-trifluoro-2-hydroxybutanoate
CID 12042653
1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
CID 71878380
1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea
CID 15438831
(Z)-2-fluoro-4-hydroxy-N-phenylbut-2-enamide
CID 102504908
(2S)-2-(phenylcarbamoyloxy)-4-(trifluoromethyl)hexanoic acid
CID 162565621
1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea
CID 10470871
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698

Frequently Asked Questions

What is the IUPAC name of (Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide?
The IUPAC name of (Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide (CID 23628806) is (Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide is COP(=O)(OC)/C(C(=O)Nc1ccccc1)=C(/O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide?
The InChIKey is VNPRNTXBCNGIQG-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H14F6NO6P/c1-25-28(24,26-2)9(10(22)21-8-6-4-3-5-7-8)11(23)27-12(13(15,16)17)14(18,19)20/h3-7,12,23H,1-2H3,(H,21,22)/b11-9-.
What are the key properties of (Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide?
(Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide has a molecular weight of 437.23 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-dimethoxyphosphoryl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-hydroxy-N-phenylprop-2-enamide is sourced from PubChem (CID 23628806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).