N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide

C8H11BrFNO — CID 130658591

IUPACN-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(F)CCC1
InChIInChI=1S/C8H11BrFNO/c1-6(9)5-11-7(12)8(10)3-2-4-8/h1-5H2,(H,11,12)
InChIKeyHXPQSJSADGNAJX-UHFFFAOYSA-N
MW236.08 g/mol
LogP1.90
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide

N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide (PubChem CID 130658591) has the molecular formula C8H11BrFNO and a molecular weight of 236.08 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide
PubChem CID130658591
Molecular FormulaC8H11BrFNO
Molecular Weight236.08 g/mol
Exact Mass235.00
IUPAC NameN-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(F)CCC1
InChIInChI=1S/C8H11BrFNO/c1-6(9)5-11-7(12)8(10)3-2-4-8/h1-5H2,(H,11,12)
InChIKeyHXPQSJSADGNAJX-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.08
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide
CID 130626881
N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide
CID 130683239
N-(2-bromoprop-2-enyl)-3,3-difluorocyclobutane-1-carboxamide
CID 130683927
N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide
CID 103707123
N-(2-bromoprop-2-enyl)-2-cyclopropylacetamide
CID 115594370
N-(2-bromoprop-2-enyl)pentanamide
CID 115594418
N-(2-bromoprop-2-enyl)cyclobutanecarboxamide
CID 115594612
1-(aminomethyl)-N-(2-bromoprop-2-enyl)cyclobutane-1-carboxamide
CID 116029697
1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide
CID 130614249
N-(2-bromoprop-2-enyl)-1-methylcyclobutane-1-carboxamide
CID 130634322
1-bromo-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
CID 130637320
N-(2-bromoprop-2-enyl)-3-methylcyclobutane-1-carboxamide
CID 130683561

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide (CID 130658591) is N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide is C=C(Br)CNC(=O)C1(F)CCC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide?
The InChIKey is HXPQSJSADGNAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrFNO/c1-6(9)5-11-7(12)8(10)3-2-4-8/h1-5H2,(H,11,12).
What are the key properties of N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide?
N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide has a molecular weight of 236.08 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide is sourced from PubChem (CID 130658591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).