2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C10H20FN — CID 80695182

IUPAC2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC1(C)C(CNCCF)C1(C)C
InChIInChI=1S/C10H20FN/c1-9(2)8(10(9,3)4)7-12-6-5-11/h8,12H,5-7H2,1-4H3
InChIKeyJAWLKQACOLECGR-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.23
Rot. Bonds4

About 2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 80695182) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID80695182
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC1(C)C(CNCCF)C1(C)C
InChIInChI=1S/C10H20FN/c1-9(2)8(10(9,3)4)7-12-6-5-11/h8,12H,5-7H2,1-4H3
InChIKeyJAWLKQACOLECGR-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 80695182) is 2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CC1(C)C(CNCCF)C1(C)C.
What is the InChIKey of 2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is JAWLKQACOLECGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-9(2)8(10(9,3)4)7-12-6-5-11/h8,12H,5-7H2,1-4H3.
What are the key properties of 2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 173.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 80695182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).