2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide

C11H20ClF2NO — CID 171733575

IUPAC2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(NC(=O)C(F)(F)Cl)C(C)(C)C
InChIInChI=1S/C11H20ClF2NO/c1-9(2,3)7(10(4,5)6)15-8(16)11(12,13)14/h7H,1-6H3,(H,15,16)
InChIKeyPRHZJBFLGWNRMB-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.39
Rot. Bonds2

About 2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide

2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide (PubChem CID 171733575) has the molecular formula C11H20ClF2NO and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide
PubChem CID171733575
Molecular FormulaC11H20ClF2NO
Molecular Weight255.74 g/mol
Exact Mass255.12
IUPAC Name2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(NC(=O)C(F)(F)Cl)C(C)(C)C
InChIInChI=1S/C11H20ClF2NO/c1-9(2,3)7(10(4,5)6)15-8(16)11(12,13)14/h7H,1-6H3,(H,15,16)
InChIKeyPRHZJBFLGWNRMB-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.39
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-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide
CID 131041699
2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 164778830
2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide
CID 165395354
N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide
CID 167041845
2,2,2-trifluoro-N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide
CID 167213523
2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
CID 167424946
3,3,3-trifluoro-2,2-dimethyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
CID 167425025
2,2,2-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide
CID 168142155
N-(2,2-difluoro-4,4-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide
CID 168142220
N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen
CID 169193460
2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
CID 170265595
3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
CID 170266113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide (CID 171733575) is 2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide is CC(C)(C)C(NC(=O)C(F)(F)Cl)C(C)(C)C.
What is the InChIKey of 2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide?
The InChIKey is PRHZJBFLGWNRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClF2NO/c1-9(2,3)7(10(4,5)6)15-8(16)11(12,13)14/h7H,1-6H3,(H,15,16).
What are the key properties of 2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide?
2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide has a molecular weight of 255.74 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)acetamide is sourced from PubChem (CID 171733575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).