N-(2-chloroethyl)-2,2-difluoropropanamide

C5H8ClF2NO — CID 87839601

IUPACN-(2-chloroethyl)-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NCCCl
InChIInChI=1S/C5H8ClF2NO/c1-5(7,8)4(10)9-3-2-6/h2-3H2,1H3,(H,9,10)
InChIKeyHEKUYGRZBGZRSZ-UHFFFAOYSA-N
MW171.57 g/mol
LogP1.00
Rot. Bonds3

About N-(2-chloroethyl)-2,2-difluoropropanamide

N-(2-chloroethyl)-2,2-difluoropropanamide (PubChem CID 87839601) has the molecular formula C5H8ClF2NO and a molecular weight of 171.57 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2-difluoropropanamide
PubChem CID87839601
Molecular FormulaC5H8ClF2NO
Molecular Weight171.57 g/mol
Exact Mass171.03
IUPAC NameN-(2-chloroethyl)-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NCCCl
InChIInChI=1S/C5H8ClF2NO/c1-5(7,8)4(10)9-3-2-6/h2-3H2,1H3,(H,9,10)
InChIKeyHEKUYGRZBGZRSZ-UHFFFAOYSA-N
XLogP1.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.57
LogP ≤ 51.00
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 N-(2-chloroethyl)-2,2-difluoropropanamide?
The IUPAC name of N-(2-chloroethyl)-2,2-difluoropropanamide (CID 87839601) is N-(2-chloroethyl)-2,2-difluoropropanamide.
What is the SMILES notation for N-(2-chloroethyl)-2,2-difluoropropanamide?
The canonical SMILES for N-(2-chloroethyl)-2,2-difluoropropanamide is CC(F)(F)C(=O)NCCCl.
What is the InChIKey of N-(2-chloroethyl)-2,2-difluoropropanamide?
The InChIKey is HEKUYGRZBGZRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClF2NO/c1-5(7,8)4(10)9-3-2-6/h2-3H2,1H3,(H,9,10).
What are the key properties of N-(2-chloroethyl)-2,2-difluoropropanamide?
N-(2-chloroethyl)-2,2-difluoropropanamide has a molecular weight of 171.57 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,2-difluoropropanamide is sourced from PubChem (CID 87839601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).