[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite

C9H18FN2O2P — CID 153336276

IUPAC[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite
SMILESCC(C)N(C(C)C)P(OF)OCCC#N
InChIInChI=1S/C9H18FN2O2P/c1-8(2)12(9(3)4)15(14-10)13-7-5-6-11/h8-9H,5,7H2,1-4H3
InChIKeyJHQZXJYGAUXLLY-UHFFFAOYSA-N
MW236.23 g/mol
LogP3.16
Rot. Bonds7

About [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite

[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite (PubChem CID 153336276) has the molecular formula C9H18FN2O2P and a molecular weight of 236.23 g/mol. Its IUPAC name is [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite.

Molecular Properties

Compound Name[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite
PubChem CID153336276
Molecular FormulaC9H18FN2O2P
Molecular Weight236.23 g/mol
Exact Mass236.11
IUPAC Name[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite
SMILESCC(C)N(C(C)C)P(OF)OCCC#N
InChIInChI=1S/C9H18FN2O2P/c1-8(2)12(9(3)4)15(14-10)13-7-5-6-11/h8-9H,5,7H2,1-4H3
InChIKeyJHQZXJYGAUXLLY-UHFFFAOYSA-N
XLogP3.16
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite?
The IUPAC name of [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite (CID 153336276) is [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite.
What is the SMILES notation for [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite?
The canonical SMILES for [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite is CC(C)N(C(C)C)P(OF)OCCC#N.
What is the InChIKey of [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite?
The InChIKey is JHQZXJYGAUXLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN2O2P/c1-8(2)12(9(3)4)15(14-10)13-7-5-6-11/h8-9H,5,7H2,1-4H3.
What are the key properties of [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite?
[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite has a molecular weight of 236.23 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite is sourced from PubChem (CID 153336276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).