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

C8H15ClFNO — CID 176757515

IUPAC2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide
SMILESCC(NC(=O)C(F)Cl)C(C)(C)C
InChIInChI=1S/C8H15ClFNO/c1-5(8(2,3)4)11-7(12)6(9)10/h5-6H,1-4H3,(H,11,12)
InChIKeyNWUBKRLBLMPDRP-UHFFFAOYSA-N
MW195.66 g/mol
LogP2.07
Rot. Bonds2

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

2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide (PubChem CID 176757515) has the molecular formula C8H15ClFNO and a molecular weight of 195.66 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide
PubChem CID176757515
Molecular FormulaC8H15ClFNO
Molecular Weight195.66 g/mol
Exact Mass195.08
IUPAC Name2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide
SMILESCC(NC(=O)C(F)Cl)C(C)(C)C
InChIInChI=1S/C8H15ClFNO/c1-5(8(2,3)4)11-7(12)6(9)10/h5-6H,1-4H3,(H,11,12)
InChIKeyNWUBKRLBLMPDRP-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.66
LogP ≤ 52.07
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-(butan-2-yl)-2-chloroacetamide
CID 3138632
N-Isopropyl chlorofluoroacetamide
CID 13885084
2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide
CID 131041699
2-chloro-N-(3,3-dimethylbutyl)-2,2-difluoroacetamide
CID 165395354
2-chloro-N-(2,2-dimethylpropyl)-2-fluoroacetamide
CID 176757934
2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide
CID 177014597
2-chloro-N-(3,3-dimethylbutan-2-yl)-2,3,3,3-tetrafluoropropanamide;ethane
CID 177964825
2-chloro-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2453584
N-(2-chloro-3,3-dimethylbutyl)-2,2,2-trifluoroacetamide
CID 15577176
2-chloro-N-(4,4,4-trifluorobutan-2-yl)acetamide
CID 105933020
N-(1-chloropropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
CID 130987604
2-chloro-N-(4,4-difluorobutan-2-yl)acetamide
CID 131206668

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide?
The IUPAC name of 2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide (CID 176757515) is 2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide?
The canonical SMILES for 2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide is CC(NC(=O)C(F)Cl)C(C)(C)C.
What is the InChIKey of 2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide?
The InChIKey is NWUBKRLBLMPDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClFNO/c1-5(8(2,3)4)11-7(12)6(9)10/h5-6H,1-4H3,(H,11,12).
What are the key properties of 2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide?
2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide has a molecular weight of 195.66 g/mol, XLogP of 2.07, 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-fluoroacetamide is sourced from PubChem (CID 176757515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).