2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide

C7H10ClF2NO2 — CID 131154136

IUPAC2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCC1(CNC(=O)C(F)(F)Cl)COC1
InChIInChI=1S/C7H10ClF2NO2/c1-6(3-13-4-6)2-11-5(12)7(8,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyACFHTZCFYXUFQC-UHFFFAOYSA-N
MW213.61 g/mol
LogP0.97
Rot. Bonds3

About 2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide

2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide (PubChem CID 131154136) has the molecular formula C7H10ClF2NO2 and a molecular weight of 213.61 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide
PubChem CID131154136
Molecular FormulaC7H10ClF2NO2
Molecular Weight213.61 g/mol
Exact Mass213.04
IUPAC Name2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCC1(CNC(=O)C(F)(F)Cl)COC1
InChIInChI=1S/C7H10ClF2NO2/c1-6(3-13-4-6)2-11-5(12)7(8,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyACFHTZCFYXUFQC-UHFFFAOYSA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.61
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78957606
2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 80556105
2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide
CID 131065134
2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide
CID 130915014
(2R)-N-[(3-methyloxetan-3-yl)methyl]azetidine-2-carboxamide;hydrochloride
CID 130637833
1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624323
(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide
CID 103872794
N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide
CID 78957563
2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
CID 107472428
2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957558
1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624335
2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742498

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide (CID 131154136) is 2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide is CC1(CNC(=O)C(F)(F)Cl)COC1.
What is the InChIKey of 2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The InChIKey is ACFHTZCFYXUFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2NO2/c1-6(3-13-4-6)2-11-5(12)7(8,9)10/h2-4H2,1H3,(H,11,12).
What are the key properties of 2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide?
2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide has a molecular weight of 213.61 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide is sourced from PubChem (CID 131154136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).