(Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide

C13H25FNO4P — CID 15099089

IUPAC(Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide
SMILESCCOP(=O)(C/C=C(\F)C(=O)NC(C)C(C)C)OCC
InChIInChI=1S/C13H25FNO4P/c1-6-18-20(17,19-7-2)9-8-12(14)13(16)15-11(5)10(3)4/h8,10-11H,6-7,9H2,1-5H3,(H,15,16)/b12-8-
InChIKeyDQDSDLVMDJQEHP-WQLSENKSSA-N
MW309.32 g/mol
LogP3.27
Rot. Bonds9

About (Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide

(Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide (PubChem CID 15099089) has the molecular formula C13H25FNO4P and a molecular weight of 309.32 g/mol. Its IUPAC name is (Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide.

Molecular Properties

Compound Name(Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide
PubChem CID15099089
Molecular FormulaC13H25FNO4P
Molecular Weight309.32 g/mol
Exact Mass309.15
IUPAC Name(Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide
SMILESCCOP(=O)(C/C=C(\F)C(=O)NC(C)C(C)C)OCC
InChIInChI=1S/C13H25FNO4P/c1-6-18-20(17,19-7-2)9-8-12(14)13(16)15-11(5)10(3)4/h8,10-11H,6-7,9H2,1-5H3,(H,15,16)/b12-8-
InChIKeyDQDSDLVMDJQEHP-WQLSENKSSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-diethoxyphosphoryl-3-fluorobut-2-ene
CID 15499028
2-fluoro-N-[3-(2-fluorododec-2-enoylamino)butan-2-yl]tridec-2-enamide
CID 123461381
(Z)-4-diethoxyphosphoryl-2-fluorobut-2-enenitrile
CID 15099088
methyl 2-[[(E)-4-diethoxyphosphorylbut-2-enyl]amino]propanoate
CID 19801597
(E)-1-diethoxyphosphoryl-3-methyloct-2-ene
CID 134894980
(3S)-1-diethoxyphosphoryl-3-hydroxybutan-2-one
CID 11481490
N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide
CID 102320660
3-diethoxyphosphorylprop-1-ene
CID 573014
N-(2-diethoxyphosphorylethylidene)hydroxylamine
CID 71335397
4-diethoxyphosphorylbut-2-enylphosphonic acid
CID 141199964
(5S)-5-(diethoxyphosphorylmethyl)-2,2,6-trimethylheptan-3-one
CID 15200871
4-diethoxyphosphorylbutanehydrazide
CID 156632548

Frequently Asked Questions

What is the IUPAC name of (Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide?
The IUPAC name of (Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide (CID 15099089) is (Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide.
What is the SMILES notation for (Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide?
The canonical SMILES for (Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide is CCOP(=O)(C/C=C(\F)C(=O)NC(C)C(C)C)OCC.
What is the InChIKey of (Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide?
The InChIKey is DQDSDLVMDJQEHP-WQLSENKSSA-N. The full InChI is InChI=1S/C13H25FNO4P/c1-6-18-20(17,19-7-2)9-8-12(14)13(16)15-11(5)10(3)4/h8,10-11H,6-7,9H2,1-5H3,(H,15,16)/b12-8-.
What are the key properties of (Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide?
(Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide has a molecular weight of 309.32 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-diethoxyphosphoryl-2-fluoro-N-(3-methylbutan-2-yl)but-2-enamide is sourced from PubChem (CID 15099089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).