2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide

C8H15ClFNO — CID 176757808

IUPAC2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide
SMILESCN(CC(C)(C)C)C(=O)C(F)Cl
InChIInChI=1S/C8H15ClFNO/c1-8(2,3)5-11(4)7(12)6(9)10/h6H,5H2,1-4H3
InChIKeySQXDLHMUGHOJHN-UHFFFAOYSA-N
MW195.66 g/mol
LogP2.03
Rot. Bonds2

About 2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide

2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide (PubChem CID 176757808) has the molecular formula C8H15ClFNO and a molecular weight of 195.66 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide
PubChem CID176757808
Molecular FormulaC8H15ClFNO
Molecular Weight195.66 g/mol
Exact Mass195.08
IUPAC Name2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide
SMILESCN(CC(C)(C)C)C(=O)C(F)Cl
InChIInChI=1S/C8H15ClFNO/c1-8(2,3)5-11(4)7(12)6(9)10/h6H,5H2,1-4H3
InChIKeySQXDLHMUGHOJHN-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.66
LogP ≤ 52.03
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-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide?
The IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide (CID 176757808) is 2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide?
The canonical SMILES for 2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide is CN(CC(C)(C)C)C(=O)C(F)Cl.
What is the InChIKey of 2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide?
The InChIKey is SQXDLHMUGHOJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClFNO/c1-8(2,3)5-11(4)7(12)6(9)10/h6H,5H2,1-4H3.
What are the key properties of 2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide?
2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide has a molecular weight of 195.66 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylpropyl)-2-fluoro-N-methylacetamide is sourced from PubChem (CID 176757808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).