[chloro(ethoxy)phosphanyl]formonitrile

C3H5ClNOP — CID 13181425

IUPAC[chloro(ethoxy)phosphanyl]formonitrile
SMILESCCOP(Cl)C#N
InChIInChI=1S/C3H5ClNOP/c1-2-6-7(4)3-5/h2H2,1H3
InChIKeyQBVQMVRLIAJRQV-UHFFFAOYSA-N
MW137.51 g/mol
LogP2.05
Rot. Bonds2

About [chloro(ethoxy)phosphanyl]formonitrile

[chloro(ethoxy)phosphanyl]formonitrile (PubChem CID 13181425) has the molecular formula C3H5ClNOP and a molecular weight of 137.51 g/mol. Its IUPAC name is [chloro(ethoxy)phosphanyl]formonitrile.

Molecular Properties

Compound Name[chloro(ethoxy)phosphanyl]formonitrile
PubChem CID13181425
Molecular FormulaC3H5ClNOP
Molecular Weight137.51 g/mol
Exact Mass136.98
IUPAC Name[chloro(ethoxy)phosphanyl]formonitrile
SMILESCCOP(Cl)C#N
InChIInChI=1S/C3H5ClNOP/c1-2-6-7(4)3-5/h2H2,1H3
InChIKeyQBVQMVRLIAJRQV-UHFFFAOYSA-N
XLogP2.05
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.51
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro(ethoxy)phosphanyl]formonitrile?
The IUPAC name of [chloro(ethoxy)phosphanyl]formonitrile (CID 13181425) is [chloro(ethoxy)phosphanyl]formonitrile.
What is the SMILES notation for [chloro(ethoxy)phosphanyl]formonitrile?
The canonical SMILES for [chloro(ethoxy)phosphanyl]formonitrile is CCOP(Cl)C#N.
What is the InChIKey of [chloro(ethoxy)phosphanyl]formonitrile?
The InChIKey is QBVQMVRLIAJRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClNOP/c1-2-6-7(4)3-5/h2H2,1H3.
What are the key properties of [chloro(ethoxy)phosphanyl]formonitrile?
[chloro(ethoxy)phosphanyl]formonitrile has a molecular weight of 137.51 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(ethoxy)phosphanyl]formonitrile is sourced from PubChem (CID 13181425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).