[(1S)-4-fluorocyclopent-2-en-1-yl]methanamine

C6H10FN — CID 156638825

IUPAC[(1S)-4-fluorocyclopent-2-en-1-yl]methanamine
SMILESNC[C@@H]1C=CC(F)C1
InChIInChI=1S/C6H10FN/c7-6-2-1-5(3-6)4-8/h1-2,5-6H,3-4,8H2/t5-,6?/m1/s1
InChIKeyYCMHQQOQKYDCTF-LWOQYNTDSA-N
MW115.15 g/mol
LogP0.86
Rot. Bonds1

About [(1S)-4-fluorocyclopent-2-en-1-yl]methanamine

[(1S)-4-fluorocyclopent-2-en-1-yl]methanamine (PubChem CID 156638825) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is [(1S)-4-fluorocyclopent-2-en-1-yl]methanamine.

Molecular Properties

Compound Name[(1S)-4-fluorocyclopent-2-en-1-yl]methanamine
PubChem CID156638825
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name[(1S)-4-fluorocyclopent-2-en-1-yl]methanamine
SMILESNC[C@@H]1C=CC(F)C1
InChIInChI=1S/C6H10FN/c7-6-2-1-5(3-6)4-8/h1-2,5-6H,3-4,8H2/t5-,6?/m1/s1
InChIKeyYCMHQQOQKYDCTF-LWOQYNTDSA-N
XLogP0.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-4-fluorocyclopent-2-en-1-yl]methanamine?
The IUPAC name of [(1S)-4-fluorocyclopent-2-en-1-yl]methanamine (CID 156638825) is [(1S)-4-fluorocyclopent-2-en-1-yl]methanamine.
What is the SMILES notation for [(1S)-4-fluorocyclopent-2-en-1-yl]methanamine?
The canonical SMILES for [(1S)-4-fluorocyclopent-2-en-1-yl]methanamine is NC[C@@H]1C=CC(F)C1.
What is the InChIKey of [(1S)-4-fluorocyclopent-2-en-1-yl]methanamine?
The InChIKey is YCMHQQOQKYDCTF-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H10FN/c7-6-2-1-5(3-6)4-8/h1-2,5-6H,3-4,8H2/t5-,6?/m1/s1.
What are the key properties of [(1S)-4-fluorocyclopent-2-en-1-yl]methanamine?
[(1S)-4-fluorocyclopent-2-en-1-yl]methanamine has a molecular weight of 115.15 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-4-fluorocyclopent-2-en-1-yl]methanamine is sourced from PubChem (CID 156638825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).