N-[(1-fluorocyclopropyl)methyl]ethanamine

C6H12FN — CID 131157663

IUPACN-[(1-fluorocyclopropyl)methyl]ethanamine
SMILESCCNCC1(F)CC1
InChIInChI=1S/C6H12FN/c1-2-8-5-6(7)3-4-6/h8H,2-5H2,1H3
InChIKeyDGMNFDATDBPLNZ-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.10
Rot. Bonds3

About N-[(1-fluorocyclopropyl)methyl]ethanamine

N-[(1-fluorocyclopropyl)methyl]ethanamine (PubChem CID 131157663) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]ethanamine
PubChem CID131157663
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC NameN-[(1-fluorocyclopropyl)methyl]ethanamine
SMILESCCNCC1(F)CC1
InChIInChI=1S/C6H12FN/c1-2-8-5-6(7)3-4-6/h8H,2-5H2,1H3
InChIKeyDGMNFDATDBPLNZ-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]ethanamine (CID 131157663) is N-[(1-fluorocyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]ethanamine is CCNCC1(F)CC1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]ethanamine?
The InChIKey is DGMNFDATDBPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-2-8-5-6(7)3-4-6/h8H,2-5H2,1H3.
What are the key properties of N-[(1-fluorocyclopropyl)methyl]ethanamine?
N-[(1-fluorocyclopropyl)methyl]ethanamine has a molecular weight of 117.17 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]ethanamine is sourced from PubChem (CID 131157663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).