2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide

C7H13ClFNO — CID 176757934

IUPAC2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide
SMILESCC(C)(C)CNC(=O)C(F)Cl
InChIInChI=1S/C7H13ClFNO/c1-7(2,3)4-10-6(11)5(8)9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyVSPBRUDTGMNCBA-UHFFFAOYSA-N
MW181.64 g/mol
LogP1.68
Rot. Bonds2

About 2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide

2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide (PubChem CID 176757934) has the molecular formula C7H13ClFNO and a molecular weight of 181.64 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide
PubChem CID176757934
Molecular FormulaC7H13ClFNO
Molecular Weight181.64 g/mol
Exact Mass181.07
IUPAC Name2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide
SMILESCC(C)(C)CNC(=O)C(F)Cl
InChIInChI=1S/C7H13ClFNO/c1-7(2,3)4-10-6(11)5(8)9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyVSPBRUDTGMNCBA-UHFFFAOYSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.64
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-chloroacetamide
CID 219645
2-chloro-N-ethylacetamide
CID 66044
2-Chloro-N-isobutylacetamide
CID 222359
2-chloro-N-(2,2,2-trifluoroethyl)propanamide
CID 3799469
2-chloro-N-(3-methylbutyl)acetamide
CID 2384240
2-chloro-N-propylacetamide
CID 222357
N-Butyl-2-chloropropanamide
CID 13828389
2-chloro-N-(2-methylpropyl)propanamide
CID 20441641
2-Chloro-N-ethylpropionamide
CID 105620
N-(butan-2-yl)-2-chloroacetamide
CID 3138632
2-chloro-N-ethyl-2-fluoroacetamide
CID 85618465
(2R)-2-chloro-N-(2,2,2-trifluoroethyl)propanamide
CID 7127700

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide?
The IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide (CID 176757934) is 2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide?
The canonical SMILES for 2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide is CC(C)(C)CNC(=O)C(F)Cl.
What is the InChIKey of 2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide?
The InChIKey is VSPBRUDTGMNCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClFNO/c1-7(2,3)4-10-6(11)5(8)9/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide?
2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide has a molecular weight of 181.64 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide is sourced from PubChem (CID 176757934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).