3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile

C3H6F2NO3P — CID 155355939

IUPAC3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile
SMILESN#CCCOP(O)(O)(F)F
InChIInChI=1S/C3H6F2NO3P/c4-10(5,7,8)9-3-1-2-6/h7-8H,1,3H2
InChIKeyPJMZGTBVFOGLLZ-UHFFFAOYSA-N
MW173.05 g/mol
LogP0.97
Rot. Bonds3

About 3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile

3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile (PubChem CID 155355939) has the molecular formula C3H6F2NO3P and a molecular weight of 173.05 g/mol. Its IUPAC name is 3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile.

Molecular Properties

Compound Name3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile
PubChem CID155355939
Molecular FormulaC3H6F2NO3P
Molecular Weight173.05 g/mol
Exact Mass173.01
IUPAC Name3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile
SMILESN#CCCOP(O)(O)(F)F
InChIInChI=1S/C3H6F2NO3P/c4-10(5,7,8)9-3-1-2-6/h7-8H,1,3H2
InChIKeyPJMZGTBVFOGLLZ-UHFFFAOYSA-N
XLogP0.97
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.05
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Difluorophosphinooxy)propionitrile
CID 57484054
2-Cyanoethoxy(fluoro)phosphinous acid
CID 53667520
2-Cyanoethyl difluoro phosphite
CID 155355940
3-Difluorophosphoryloxypropanenitrile
CID 171785506
2-Cyanoethoxy(fluoro)phosphinic acid
CID 175605230
2-Cyanoethyl dihydrogen phosphite
CID 14354114
3-Dihydroxyphosphinothioyloxypropanenitrile
CID 14504105
Chloro 2-cyanoethyl hydrogen phosphite
CID 22027239
Chloro(2-cyanoethoxy)phosphinous acid
CID 86622674
2-Cyanoethoxy(trihydroxy)phosphanium
CID 87771986
2-Cyanoethoxyphosphinous acid
CID 88909223
2-Cyanoethoxy-hydroxy-dioxidophosphanium
CID 86622672

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile?
The IUPAC name of 3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile (CID 155355939) is 3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile.
What is the SMILES notation for 3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile?
The canonical SMILES for 3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile is N#CCCOP(O)(O)(F)F.
What is the InChIKey of 3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile?
The InChIKey is PJMZGTBVFOGLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2NO3P/c4-10(5,7,8)9-3-1-2-6/h7-8H,1,3H2.
What are the key properties of 3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile?
3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile has a molecular weight of 173.05 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(dihydroxy)-λ5-phosphanyl]oxypropanenitrile is sourced from PubChem (CID 155355939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).