2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride

C10H8Cl2O — CID 45081240

IUPAC2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C10H8Cl2O/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2
InChIKeyFMHCRDRHRPITRS-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.21
Rot. Bonds2

About 2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride

2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride (PubChem CID 45081240) has the molecular formula C10H8Cl2O and a molecular weight of 215.08 g/mol. Its IUPAC name is 2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride
PubChem CID45081240
Molecular FormulaC10H8Cl2O
Molecular Weight215.08 g/mol
Exact Mass214.00
IUPAC Name2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C10H8Cl2O/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2
InChIKeyFMHCRDRHRPITRS-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride?
The IUPAC name of 2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride (CID 45081240) is 2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for 2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride is O=C(Cl)C1CC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride?
The InChIKey is FMHCRDRHRPITRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2.
What are the key properties of 2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride?
2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride has a molecular weight of 215.08 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 45081240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).