N-(1,1-dichloroethyl)-2,2-difluoroacetamide

C4H5Cl2F2NO — CID 151425647

IUPACN-(1,1-dichloroethyl)-2,2-difluoroacetamide
SMILESCC(Cl)(Cl)NC(=O)C(F)F
InChIInChI=1S/C4H5Cl2F2NO/c1-4(5,6)9-3(10)2(7)8/h2H,1H3,(H,9,10)
InChIKeyPBLMHNPRZBLFFE-UHFFFAOYSA-N
MW191.99 g/mol
LogP1.52
Rot. Bonds2

About N-(1,1-dichloroethyl)-2,2-difluoroacetamide

N-(1,1-dichloroethyl)-2,2-difluoroacetamide (PubChem CID 151425647) has the molecular formula C4H5Cl2F2NO and a molecular weight of 191.99 g/mol. Its IUPAC name is N-(1,1-dichloroethyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(1,1-dichloroethyl)-2,2-difluoroacetamide
PubChem CID151425647
Molecular FormulaC4H5Cl2F2NO
Molecular Weight191.99 g/mol
Exact Mass190.97
IUPAC NameN-(1,1-dichloroethyl)-2,2-difluoroacetamide
SMILESCC(Cl)(Cl)NC(=O)C(F)F
InChIInChI=1S/C4H5Cl2F2NO/c1-4(5,6)9-3(10)2(7)8/h2H,1H3,(H,9,10)
InChIKeyPBLMHNPRZBLFFE-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.99
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dichloroethyl)-2,2-difluoroacetamide?
The IUPAC name of N-(1,1-dichloroethyl)-2,2-difluoroacetamide (CID 151425647) is N-(1,1-dichloroethyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(1,1-dichloroethyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(1,1-dichloroethyl)-2,2-difluoroacetamide is CC(Cl)(Cl)NC(=O)C(F)F.
What is the InChIKey of N-(1,1-dichloroethyl)-2,2-difluoroacetamide?
The InChIKey is PBLMHNPRZBLFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl2F2NO/c1-4(5,6)9-3(10)2(7)8/h2H,1H3,(H,9,10).
What are the key properties of N-(1,1-dichloroethyl)-2,2-difluoroacetamide?
N-(1,1-dichloroethyl)-2,2-difluoroacetamide has a molecular weight of 191.99 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dichloroethyl)-2,2-difluoroacetamide is sourced from PubChem (CID 151425647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).