3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide

C7H11ClF3NO — CID 158689027

IUPAC3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)Cl
InChIInChI=1S/C7H11ClF3NO/c1-3-12(4-2)6(13)7(10,11)5(8)9/h5H,3-4H2,1-2H3
InChIKeyCDAZBOQKGGZWDT-UHFFFAOYSA-N
MW217.62 g/mol
LogP2.02
Rot. Bonds4

About 3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide

3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide (PubChem CID 158689027) has the molecular formula C7H11ClF3NO and a molecular weight of 217.62 g/mol. Its IUPAC name is 3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide.

Molecular Properties

Compound Name3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide
PubChem CID158689027
Molecular FormulaC7H11ClF3NO
Molecular Weight217.62 g/mol
Exact Mass217.05
IUPAC Name3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)Cl
InChIInChI=1S/C7H11ClF3NO/c1-3-12(4-2)6(13)7(10,11)5(8)9/h5H,3-4H2,1-2H3
InChIKeyCDAZBOQKGGZWDT-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 52.02
H-Bond Donors ≤ 50
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 3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide?
The IUPAC name of 3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide (CID 158689027) is 3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide.
What is the SMILES notation for 3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide?
The canonical SMILES for 3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide is CCN(CC)C(=O)C(F)(F)C(F)Cl.
What is the InChIKey of 3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide?
The InChIKey is CDAZBOQKGGZWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF3NO/c1-3-12(4-2)6(13)7(10,11)5(8)9/h5H,3-4H2,1-2H3.
What are the key properties of 3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide?
3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide has a molecular weight of 217.62 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide is sourced from PubChem (CID 158689027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).