(1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid

C5H6Cl2O2 — CID 7003716

IUPAC(1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)CC1(Cl)Cl
InChIInChI=1S/C5H6Cl2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)/t4-/m1/s1
InChIKeyBIUUWIKPBYWKEQ-SCSAIBSYSA-N
MW169.01 g/mol
LogP1.65
Rot. Bonds1

About (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid

(1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid (PubChem CID 7003716) has the molecular formula C5H6Cl2O2 and a molecular weight of 169.01 g/mol. Its IUPAC name is (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid
PubChem CID7003716
Molecular FormulaC5H6Cl2O2
Molecular Weight169.01 g/mol
Exact Mass167.97
IUPAC Name(1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)CC1(Cl)Cl
InChIInChI=1S/C5H6Cl2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)/t4-/m1/s1
InChIKeyBIUUWIKPBYWKEQ-SCSAIBSYSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.01
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid (CID 7003716) is (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid is C[C@]1(C(=O)O)CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid?
The InChIKey is BIUUWIKPBYWKEQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H6Cl2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)/t4-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid?
(1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid has a molecular weight of 169.01 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 7003716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).