2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide

C8H14ClF2NO — CID 165395354

IUPAC2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide
SMILESCC(C)(C)CCNC(=O)C(F)(F)Cl
InChIInChI=1S/C8H14ClF2NO/c1-7(2,3)4-5-12-6(13)8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyZDVGYTPQRGCQIL-UHFFFAOYSA-N
MW213.65 g/mol
LogP2.37
Rot. Bonds3

About 2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide

2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide (PubChem CID 165395354) has the molecular formula C8H14ClF2NO and a molecular weight of 213.65 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide
PubChem CID165395354
Molecular FormulaC8H14ClF2NO
Molecular Weight213.65 g/mol
Exact Mass213.07
IUPAC Name2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide
SMILESCC(C)(C)CCNC(=O)C(F)(F)Cl
InChIInChI=1S/C8H14ClF2NO/c1-7(2,3)4-5-12-6(13)8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyZDVGYTPQRGCQIL-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 52.37
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-(2,2-difluoro-3,3-dimethylbutyl)acetamide
CID 58044587
N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide
CID 58090057
3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59613586
N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide
CID 91360587
2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide
CID 131041699
2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide
CID 171733575
2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide
CID 176757515
2-chloro-N-(3,3-dimethylbutan-2-yl)-2,3,3,3-tetrafluoropropanamide;ethane
CID 177964825
N-butyl-2-chloro-2,2-difluoroacetamide
CID 14142084
N-(2-chloro-3,3-dimethylbutyl)-2,2,2-trifluoroacetamide
CID 15577176
2-chloro-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide
CID 71672398
N-butyl-2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 71672409

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide?
The IUPAC name of 2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide (CID 165395354) is 2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide?
The canonical SMILES for 2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide is CC(C)(C)CCNC(=O)C(F)(F)Cl.
What is the InChIKey of 2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide?
The InChIKey is ZDVGYTPQRGCQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO/c1-7(2,3)4-5-12-6(13)8(9,10)11/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide?
2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide has a molecular weight of 213.65 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide is sourced from PubChem (CID 165395354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).