N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide

C10H17BrFNO — CID 130986115

IUPACN-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC(Br)C(C)(C)NC(=O)C1(C)CC1F
InChIInChI=1S/C10H17BrFNO/c1-6(11)9(2,3)13-8(14)10(4)5-7(10)12/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyCRKHJCDMYPXGKN-UHFFFAOYSA-N
MW266.15 g/mol
LogP2.41
Rot. Bonds3

About N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide

N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide (PubChem CID 130986115) has the molecular formula C10H17BrFNO and a molecular weight of 266.15 g/mol. Its IUPAC name is N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
PubChem CID130986115
Molecular FormulaC10H17BrFNO
Molecular Weight266.15 g/mol
Exact Mass265.05
IUPAC NameN-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC(Br)C(C)(C)NC(=O)C1(C)CC1F
InChIInChI=1S/C10H17BrFNO/c1-6(11)9(2,3)13-8(14)10(4)5-7(10)12/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyCRKHJCDMYPXGKN-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide (CID 130986115) is N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide is CC(Br)C(C)(C)NC(=O)C1(C)CC1F.
What is the InChIKey of N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The InChIKey is CRKHJCDMYPXGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrFNO/c1-6(11)9(2,3)13-8(14)10(4)5-7(10)12/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide has a molecular weight of 266.15 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130986115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).