prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate

C19H18FO3P — CID 174780192

IUPACprop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate
SMILESC#CCOC(=O)C(F)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18FO3P/c1-2-14-23-19(21)18(20)13-15-24(22,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-12,18H,13-15H2
InChIKeyGCRHFAHYQCWTDY-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.91
Rot. Bonds7

About prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate

prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate (PubChem CID 174780192) has the molecular formula C19H18FO3P and a molecular weight of 344.32 g/mol. Its IUPAC name is prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate.

Molecular Properties

Compound Nameprop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate
PubChem CID174780192
Molecular FormulaC19H18FO3P
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Nameprop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate
SMILESC#CCOC(=O)C(F)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18FO3P/c1-2-14-23-19(21)18(20)13-15-24(22,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-12,18H,13-15H2
InChIKeyGCRHFAHYQCWTDY-UHFFFAOYSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium
CID 139127496
1-diphenylphosphoryl-4-methylpentan-3-ol
CID 11312690
prop-2-ynyl 2-phenylbutanoate
CID 78790069
prop-2-ynyl 2-(N-ethylanilino)propanoate
CID 23345915
prop-2-ynyl 2-acetyloxy-2-phenylacetate
CID 10911413
prop-2-ynyl (2S)-3-phenyl-2-(prop-2-ynoxycarbonylamino)propanoate
CID 42637951
prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate
CID 47105963
(2S)-2-phenyl-2-(prop-2-ynoxycarbonylamino)acetic acid
CID 12968369
2-deuterio-4-diphenylphosphorylbutan-1-ol
CID 11460046
2-diphenylphosphorylethyl-dimethoxy-methylsilane
CID 13356480
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate?
The IUPAC name of prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate (CID 174780192) is prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate.
What is the SMILES notation for prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate?
The canonical SMILES for prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate is C#CCOC(=O)C(F)CCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate?
The InChIKey is GCRHFAHYQCWTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FO3P/c1-2-14-23-19(21)18(20)13-15-24(22,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-12,18H,13-15H2.
What are the key properties of prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate?
prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate has a molecular weight of 344.32 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 4-diphenylphosphoryl-2-fluorobutanoate is sourced from PubChem (CID 174780192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).