2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C8H13ClF3NO — CID 54592505

IUPAC2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCl
InChIInChI=1S/C8H13ClF3NO/c1-6(2)4-13(7(14)3-9)5-8(10,11)12/h6H,3-5H2,1-2H3
InChIKeyFRLJLPCVCAOXOY-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.27
Rot. Bonds4

About 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54592505) has the molecular formula C8H13ClF3NO and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54592505
Molecular FormulaC8H13ClF3NO
Molecular Weight231.64 g/mol
Exact Mass231.06
IUPAC Name2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCl
InChIInChI=1S/C8H13ClF3NO/c1-6(2)4-13(7(14)3-9)5-8(10,11)12/h6H,3-5H2,1-2H3
InChIKeyFRLJLPCVCAOXOY-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.27
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 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 54592505) is 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FRLJLPCVCAOXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO/c1-6(2)4-13(7(14)3-9)5-8(10,11)12/h6H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 231.64 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54592505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).