N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide

C6H6Cl2F3NO — CID 130831642

IUPACN-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CC1(Cl)Cl)C(F)(F)F
InChIInChI=1S/C6H6Cl2F3NO/c7-5(8)1-3(5)2-12-4(13)6(9,10)11/h3H,1-2H2,(H,12,13)
InChIKeyAUIVKVUVBJFGFW-UHFFFAOYSA-N
MW236.02 g/mol
LogP1.86
Rot. Bonds2

About N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide

N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 130831642) has the molecular formula C6H6Cl2F3NO and a molecular weight of 236.02 g/mol. Its IUPAC name is N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide
PubChem CID130831642
Molecular FormulaC6H6Cl2F3NO
Molecular Weight236.02 g/mol
Exact Mass234.98
IUPAC NameN-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CC1(Cl)Cl)C(F)(F)F
InChIInChI=1S/C6H6Cl2F3NO/c7-5(8)1-3(5)2-12-4(13)6(9,10)11/h3H,1-2H2,(H,12,13)
InChIKeyAUIVKVUVBJFGFW-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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Related Compounds

2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide
CID 130671550
N-(2-bromo-2,2-difluoroethyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 130736126
2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide
CID 130841222
2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 131038132
2,2-dichloro-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide;hydrochloride
CID 130671549
N-[(2,2-dichlorocyclopropyl)methyl]acetamide
CID 131042043

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide (CID 130831642) is N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide is O=C(NCC1CC1(Cl)Cl)C(F)(F)F.
What is the InChIKey of N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is AUIVKVUVBJFGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2F3NO/c7-5(8)1-3(5)2-12-4(13)6(9,10)11/h3H,1-2H2,(H,12,13).
What are the key properties of N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide?
N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide 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 N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130831642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).