2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide

C6H7Cl2F2NO — CID 130671550

IUPAC2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(F)F)C1CC1(Cl)Cl
InChIInChI=1S/C6H7Cl2F2NO/c7-6(8)1-3(6)5(12)11-2-4(9)10/h3-4H,1-2H2,(H,11,12)
InChIKeyUAUPFYGUQYJACB-UHFFFAOYSA-N
MW218.03 g/mol
LogP1.56
Rot. Bonds3

About 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide

2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide (PubChem CID 130671550) has the molecular formula C6H7Cl2F2NO and a molecular weight of 218.03 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide
PubChem CID130671550
Molecular FormulaC6H7Cl2F2NO
Molecular Weight218.03 g/mol
Exact Mass216.99
IUPAC Name2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(F)F)C1CC1(Cl)Cl
InChIInChI=1S/C6H7Cl2F2NO/c7-6(8)1-3(6)5(12)11-2-4(9)10/h3-4H,1-2H2,(H,11,12)
InChIKeyUAUPFYGUQYJACB-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.03
LogP ≤ 51.56
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 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide (CID 130671550) is 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide is O=C(NCC(F)F)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is UAUPFYGUQYJACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2F2NO/c7-6(8)1-3(6)5(12)11-2-4(9)10/h3-4H,1-2H2,(H,11,12).
What are the key properties of 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 218.03 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 130671550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).