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

C6H6Cl2F3NO — CID 131038132

IUPAC2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(F)(F)F)C1CC1(Cl)Cl
InChIInChI=1S/C6H6Cl2F3NO/c7-5(8)1-3(5)4(13)12-2-6(9,10)11/h3H,1-2H2,(H,12,13)
InChIKeyINRFDPXJMFBJEC-UHFFFAOYSA-N
MW236.02 g/mol
LogP1.86
Rot. Bonds2

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

2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 131038132) has the molecular formula C6H6Cl2F3NO and a molecular weight of 236.02 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID131038132
Molecular FormulaC6H6Cl2F3NO
Molecular Weight236.02 g/mol
Exact Mass234.98
IUPAC Name2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(F)(F)F)C1CC1(Cl)Cl
InChIInChI=1S/C6H6Cl2F3NO/c7-5(8)1-3(5)4(13)12-2-6(9,10)11/h3H,1-2H2,(H,12,13)
InChIKeyINRFDPXJMFBJEC-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.02
LogP ≤ 51.86
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-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 131038132) is 2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is O=C(NCC(F)(F)F)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is INRFDPXJMFBJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2F3NO/c7-5(8)1-3(5)4(13)12-2-6(9,10)11/h3H,1-2H2,(H,12,13).
What are the key properties of 2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 236.02 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 131038132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).