2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide

C8H14ClF2NO — CID 131041699

IUPAC2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide
SMILESCC(NC(=O)C(F)(F)Cl)C(C)(C)C
InChIInChI=1S/C8H14ClF2NO/c1-5(7(2,3)4)12-6(13)8(9,10)11/h5H,1-4H3,(H,12,13)
InChIKeyRBPSXFLAMXHBSF-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.37
Rot. Bonds2

About 2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide

2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide (PubChem CID 131041699) has the molecular formula C8H14ClF2NO and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide
PubChem CID131041699
Molecular FormulaC8H14ClF2NO
Molecular Weight213.66 g/mol
Exact Mass213.07
IUPAC Name2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide
SMILESCC(NC(=O)C(F)(F)Cl)C(C)(C)C
InChIInChI=1S/C8H14ClF2NO/c1-5(7(2,3)4)12-6(13)8(9,10)11/h5H,1-4H3,(H,12,13)
InChIKeyRBPSXFLAMXHBSF-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
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

2-chloro-2,2-difluoro-N-propan-2-ylacetamide
CID 16090043
N-[(2S)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742933
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide
CID 15742935
N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoropropanamide
CID 89286084
N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide
CID 89418202
N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide
CID 103516032
N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide
CID 130885149
N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane
CID 165393873
2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide
CID 165395354
N-[(2R)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide
CID 166155900
N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane
CID 171534278

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide?
The IUPAC name of 2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide (CID 131041699) is 2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide?
The canonical SMILES for 2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide is CC(NC(=O)C(F)(F)Cl)C(C)(C)C.
What is the InChIKey of 2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide?
The InChIKey is RBPSXFLAMXHBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO/c1-5(7(2,3)4)12-6(13)8(9,10)11/h5H,1-4H3,(H,12,13).
What are the key properties of 2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide?
2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide has a molecular weight of 213.66 g/mol, XLogP of 2.37, 2 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-dimethylbutan-2-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 131041699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).