N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide

C8H13BrFNO — CID 130952060

IUPACN-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC(CBr)NC(=O)C1(C)CC1F
InChIInChI=1S/C8H13BrFNO/c1-5(4-9)11-7(12)8(2)3-6(8)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyBBSOKPOVLKDMOW-UHFFFAOYSA-N
MW238.10 g/mol
LogP1.63
Rot. Bonds3

About N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide

N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide (PubChem CID 130952060) has the molecular formula C8H13BrFNO and a molecular weight of 238.10 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
PubChem CID130952060
Molecular FormulaC8H13BrFNO
Molecular Weight238.10 g/mol
Exact Mass237.02
IUPAC NameN-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC(CBr)NC(=O)C1(C)CC1F
InChIInChI=1S/C8H13BrFNO/c1-5(4-9)11-7(12)8(2)3-6(8)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyBBSOKPOVLKDMOW-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide (CID 130952060) is N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide is CC(CBr)NC(=O)C1(C)CC1F.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The InChIKey is BBSOKPOVLKDMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrFNO/c1-5(4-9)11-7(12)8(2)3-6(8)10/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide has a molecular weight of 238.10 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130952060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).