4-chlorobutoxyphosphonamidic acid

C4H11ClNO3P — CID 87844580

IUPAC4-chlorobutoxyphosphonamidic acid
SMILESNP(=O)(O)OCCCCCl
InChIInChI=1S/C4H11ClNO3P/c5-3-1-2-4-9-10(6,7)8/h1-4H2,(H3,6,7,8)
InChIKeyKIFZFGJLYMFZOW-UHFFFAOYSA-N
MW187.56 g/mol
LogP1.08
Rot. Bonds5

About 4-chlorobutoxyphosphonamidic acid

4-chlorobutoxyphosphonamidic acid (PubChem CID 87844580) has the molecular formula C4H11ClNO3P and a molecular weight of 187.56 g/mol. Its IUPAC name is 4-chlorobutoxyphosphonamidic acid.

Molecular Properties

Compound Name4-chlorobutoxyphosphonamidic acid
PubChem CID87844580
Molecular FormulaC4H11ClNO3P
Molecular Weight187.56 g/mol
Exact Mass187.02
IUPAC Name4-chlorobutoxyphosphonamidic acid
SMILESNP(=O)(O)OCCCCCl
InChIInChI=1S/C4H11ClNO3P/c5-3-1-2-4-9-10(6,7)8/h1-4H2,(H3,6,7,8)
InChIKeyKIFZFGJLYMFZOW-UHFFFAOYSA-N
XLogP1.08
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.56
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloroethoxyphosphonamidic acid
CID 154086077
13-chlorotridecyl dihydrogen phosphate
CID 87684789
25-chloropentacosyl dihydrogen phosphate
CID 87683690
bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane
CID 53306789
2-aminoethoxyphosphonamidic acid
CID 139489144
butoxyphosphonamidic acid;guanidine
CID 175407488
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
bis(4-chlorobutyl) butanedioate
CID 87755662
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318
bis(4-chlorobutyl) hexanedioate
CID 21195037
15-aminopentadecyl dihydrogen phosphate
CID 87683192

Frequently Asked Questions

What is the IUPAC name of 4-chlorobutoxyphosphonamidic acid?
The IUPAC name of 4-chlorobutoxyphosphonamidic acid (CID 87844580) is 4-chlorobutoxyphosphonamidic acid.
What is the SMILES notation for 4-chlorobutoxyphosphonamidic acid?
The canonical SMILES for 4-chlorobutoxyphosphonamidic acid is NP(=O)(O)OCCCCCl.
What is the InChIKey of 4-chlorobutoxyphosphonamidic acid?
The InChIKey is KIFZFGJLYMFZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11ClNO3P/c5-3-1-2-4-9-10(6,7)8/h1-4H2,(H3,6,7,8).
What are the key properties of 4-chlorobutoxyphosphonamidic acid?
4-chlorobutoxyphosphonamidic acid has a molecular weight of 187.56 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutoxyphosphonamidic acid is sourced from PubChem (CID 87844580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).