2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine

C6H11ClFN — CID 122163469

IUPAC2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine
SMILESCC1(CCN)CC1(F)Cl
InChIInChI=1S/C6H11ClFN/c1-5(2-3-9)4-6(5,7)8/h2-4,9H2,1H3
InChIKeyZIIVOBURUZZDOC-UHFFFAOYSA-N
MW151.61 g/mol
LogP1.65
Rot. Bonds2

About 2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine

2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine (PubChem CID 122163469) has the molecular formula C6H11ClFN and a molecular weight of 151.61 g/mol. Its IUPAC name is 2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine
PubChem CID122163469
Molecular FormulaC6H11ClFN
Molecular Weight151.61 g/mol
Exact Mass151.06
IUPAC Name2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine
SMILESCC1(CCN)CC1(F)Cl
InChIInChI=1S/C6H11ClFN/c1-5(2-3-9)4-6(5,7)8/h2-4,9H2,1H3
InChIKeyZIIVOBURUZZDOC-UHFFFAOYSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.61
LogP ≤ 51.65
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 2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine?
The IUPAC name of 2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine (CID 122163469) is 2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine?
The canonical SMILES for 2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine is CC1(CCN)CC1(F)Cl.
What is the InChIKey of 2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine?
The InChIKey is ZIIVOBURUZZDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClFN/c1-5(2-3-9)4-6(5,7)8/h2-4,9H2,1H3.
What are the key properties of 2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine?
2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine has a molecular weight of 151.61 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine is sourced from PubChem (CID 122163469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).