4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene

C7H15F2NO4P2 — CID 155207384

IUPAC4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene
SMILESC=CCCOP(=O)(F)NP(=O)(F)OCCC
InChIInChI=1S/C7H15F2NO4P2/c1-3-5-7-14-16(9,12)10-15(8,11)13-6-4-2/h3H,1,4-7H2,2H3,(H,10,11,12)
InChIKeyPMHBJGYSWFEMAT-UHFFFAOYSA-N
MW277.14 g/mol
LogP3.75
Rot. Bonds9

About 4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene

4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene (PubChem CID 155207384) has the molecular formula C7H15F2NO4P2 and a molecular weight of 277.14 g/mol. Its IUPAC name is 4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene.

Molecular Properties

Compound Name4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene
PubChem CID155207384
Molecular FormulaC7H15F2NO4P2
Molecular Weight277.14 g/mol
Exact Mass277.04
IUPAC Name4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene
SMILESC=CCCOP(=O)(F)NP(=O)(F)OCCC
InChIInChI=1S/C7H15F2NO4P2/c1-3-5-7-14-16(9,12)10-15(8,11)13-6-4-2/h3H,1,4-7H2,2H3,(H,10,11,12)
InChIKeyPMHBJGYSWFEMAT-UHFFFAOYSA-N
XLogP3.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(but-3-enyl) fluoro phosphate
CID 130422814
but-3-enoxy(butyl)phosphinic acid
CID 87154754
1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane
CID 57288582
bis(but-3-enyl) butyl phosphate;dec-9-enyl bis(undec-10-enyl) phosphate;tris(hex-5-enyl) phosphate;tris(prop-2-enyl) phosphate
CID 159854943
methyl N-[fluoro(propoxy)phosphoryl]sulfamate
CID 155207362
bromo but-3-enyl fluoro phosphate
CID 130422709
1-[fluoro(propan-2-yl)phosphoryl]oxypropane
CID 581249
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
icosyl bis(tridec-12-enyl) phosphate
CID 156683093
but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid
CID 175706388
1-[fluoro(iodo)phosphoryl]oxypropane
CID 175579008
11-dibutoxyphosphorylundec-1-ene
CID 23108314

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene?
The IUPAC name of 4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene (CID 155207384) is 4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene.
What is the SMILES notation for 4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene?
The canonical SMILES for 4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene is C=CCCOP(=O)(F)NP(=O)(F)OCCC.
What is the InChIKey of 4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene?
The InChIKey is PMHBJGYSWFEMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO4P2/c1-3-5-7-14-16(9,12)10-15(8,11)13-6-4-2/h3H,1,4-7H2,2H3,(H,10,11,12).
What are the key properties of 4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene?
4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene has a molecular weight of 277.14 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene is sourced from PubChem (CID 155207384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).