(2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid

C5H7Cl2O4P — CID 70505290

IUPAC(2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid
SMILESCC1(C(=O)P(=O)(O)O)CC1(Cl)Cl
InChIInChI=1S/C5H7Cl2O4P/c1-4(2-5(4,6)7)3(8)12(9,10)11/h2H2,1H3,(H2,9,10,11)
InChIKeyZMULNKUUUWISJE-UHFFFAOYSA-N
MW232.99 g/mol
LogP1.27
Rot. Bonds2

About (2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid

(2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid (PubChem CID 70505290) has the molecular formula C5H7Cl2O4P and a molecular weight of 232.99 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid
PubChem CID70505290
Molecular FormulaC5H7Cl2O4P
Molecular Weight232.99 g/mol
Exact Mass231.95
IUPAC Name(2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid
SMILESCC1(C(=O)P(=O)(O)O)CC1(Cl)Cl
InChIInChI=1S/C5H7Cl2O4P/c1-4(2-5(4,6)7)3(8)12(9,10)11/h2H2,1H3,(H2,9,10,11)
InChIKeyZMULNKUUUWISJE-UHFFFAOYSA-N
XLogP1.27
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.99
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid
CID 7003716
acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol
CID 71377534
2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 78843881
(2,2-dichloro-1-methylcyclopropyl)methyl dihydrogen phosphate
CID 20565392
cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride
CID 131845502
N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 130652201
(2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid
CID 103791157
(2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883903
trans-(1S,2S)-2-chloro-2-fluoro-1-methylcyclopropane-1-carbonyl chloride
CID 45081433
2,2-dichloro-N'-ethyl-N',1-dimethylcyclopropane-1-carbohydrazide
CID 130638290
2,2-dichloro-N-cyclooctyl-1-methylcyclopropane-1-carboxamide
CID 4577033
(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 95235951

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid?
The IUPAC name of (2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid (CID 70505290) is (2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid is CC1(C(=O)P(=O)(O)O)CC1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid?
The InChIKey is ZMULNKUUUWISJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl2O4P/c1-4(2-5(4,6)7)3(8)12(9,10)11/h2H2,1H3,(H2,9,10,11).
What are the key properties of (2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid?
(2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid has a molecular weight of 232.99 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropanecarbonyl)phosphonic acid is sourced from PubChem (CID 70505290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).