2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide

C7H9ClF2N2O — CID 129453039

IUPAC2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide
SMILESN#CCCN(CC(F)F)C(=O)CCl
InChIInChI=1S/C7H9ClF2N2O/c8-4-7(13)12(3-1-2-11)5-6(9)10/h6H,1,3-5H2
InChIKeyMKLPWFVHOTYLDC-UHFFFAOYSA-N
MW210.61 g/mol
LogP1.23
Rot. Bonds5

About 2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide

2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide (PubChem CID 129453039) has the molecular formula C7H9ClF2N2O and a molecular weight of 210.61 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide
PubChem CID129453039
Molecular FormulaC7H9ClF2N2O
Molecular Weight210.61 g/mol
Exact Mass210.04
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide
SMILESN#CCCN(CC(F)F)C(=O)CCl
InChIInChI=1S/C7H9ClF2N2O/c8-4-7(13)12(3-1-2-11)5-6(9)10/h6H,1,3-5H2
InChIKeyMKLPWFVHOTYLDC-UHFFFAOYSA-N
XLogP1.23
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.61
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide (CID 129453039) is 2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide is N#CCCN(CC(F)F)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide?
The InChIKey is MKLPWFVHOTYLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2O/c8-4-7(13)12(3-1-2-11)5-6(9)10/h6H,1,3-5H2.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide?
2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide has a molecular weight of 210.61 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 129453039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).