N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide

C7H10BrF2NO — CID 131020411

IUPACN-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide
SMILESO=C(NCC(F)(F)Br)C1CCC1
InChIInChI=1S/C7H10BrF2NO/c8-7(9,10)4-11-6(12)5-2-1-3-5/h5H,1-4H2,(H,11,12)
InChIKeyXLDHICMKQPFJPL-UHFFFAOYSA-N
MW242.06 g/mol
LogP1.89
Rot. Bonds3

About N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide

N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide (PubChem CID 131020411) has the molecular formula C7H10BrF2NO and a molecular weight of 242.06 g/mol. Its IUPAC name is N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide
PubChem CID131020411
Molecular FormulaC7H10BrF2NO
Molecular Weight242.06 g/mol
Exact Mass240.99
IUPAC NameN-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide
SMILESO=C(NCC(F)(F)Br)C1CCC1
InChIInChI=1S/C7H10BrF2NO/c8-7(9,10)4-11-6(12)5-2-1-3-5/h5H,1-4H2,(H,11,12)
InChIKeyXLDHICMKQPFJPL-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 51.89
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

Acetamide, N-(cyclobutylmethyl)-2,2,2-trifluoro-
CID 57982585
4-(2-Bromo-2,2-difluoro-ethyl)-pyrrolidin-2-one
CID 58911258
3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 122667416
N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide
CID 126790249
N-[(3,3-difluorocyclobutyl)methyl]propanamide
CID 127004881
N-ethyl-3,3-difluorocyclobutane-1-carboxamide
CID 127438398
N-[(3,3-difluorocyclobutyl)methyl]acetamide
CID 128496607
3,3-difluoro-N-propan-2-ylcyclobutane-1-carboxamide
CID 129257452
2,2-difluoro-N-propan-2-ylcyclobutane-1-carboxamide
CID 130734018
N-ethyl-1-fluorocyclobutane-1-carboxamide
CID 130840825
N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide
CID 131046412
2-cyclopropyl-N-(2,2-difluoroethyl)acetamide
CID 131204641

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide (CID 131020411) is N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide is O=C(NCC(F)(F)Br)C1CCC1.
What is the InChIKey of N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide?
The InChIKey is XLDHICMKQPFJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrF2NO/c8-7(9,10)4-11-6(12)5-2-1-3-5/h5H,1-4H2,(H,11,12).
What are the key properties of N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide?
N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide has a molecular weight of 242.06 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide is sourced from PubChem (CID 131020411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).