1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide

C8H13BrFNO — CID 130651870

IUPAC1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide
SMILESCC(CF)NC(=O)C1(Br)CCC1
InChIInChI=1S/C8H13BrFNO/c1-6(5-10)11-7(12)8(9)3-2-4-8/h6H,2-5H2,1H3,(H,11,12)
InChIKeyWLGUEAGTNPIKDS-UHFFFAOYSA-N
MW238.10 g/mol
LogP1.78
Rot. Bonds3

About 1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide

1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide (PubChem CID 130651870) has the molecular formula C8H13BrFNO and a molecular weight of 238.10 g/mol. Its IUPAC name is 1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide
PubChem CID130651870
Molecular FormulaC8H13BrFNO
Molecular Weight238.10 g/mol
Exact Mass237.02
IUPAC Name1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide
SMILESCC(CF)NC(=O)C1(Br)CCC1
InChIInChI=1S/C8H13BrFNO/c1-6(5-10)11-7(12)8(9)3-2-4-8/h6H,2-5H2,1H3,(H,11,12)
InChIKeyWLGUEAGTNPIKDS-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 51.78
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

1-fluoro-N-propan-2-ylcyclobutane-1-carboxamide
CID 127011187
1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 130637485
1-fluoro-N-(3-methylbutan-2-yl)cyclobutane-1-carboxamide
CID 130684762
1-bromo-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 130686507
N-(2-bromopropyl)-3,3-difluorocyclobutane-1-carboxamide
CID 130775011
N-(2-bromocyclopentyl)-3,3-difluorocyclobutane-1-carboxamide
CID 130847641
N-butan-2-yl-1-fluorocyclobutane-1-carboxamide
CID 130944336
N-(3-bromobutan-2-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 130949711
N-(1-bromopropan-2-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 131182397
3-bromo-N-[(1R)-2-methylcyclobutyl]propanamide
CID 173749208
2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide
CID 43298708
2-bromo-N-cyclobutyl-3-methylbutanamide
CID 62413973

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide (CID 130651870) is 1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide is CC(CF)NC(=O)C1(Br)CCC1.
What is the InChIKey of 1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is WLGUEAGTNPIKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrFNO/c1-6(5-10)11-7(12)8(9)3-2-4-8/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide?
1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 238.10 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(1-fluoropropan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 130651870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).