[3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine

C12H18FN — CID 145337617

IUPAC[3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine
SMILESNCC1CC2CC(CC3(F)CC3)=CC12
InChIInChI=1S/C12H18FN/c13-12(1-2-12)6-8-3-9-5-10(7-14)11(9)4-8/h4,9-11H,1-3,5-7,14H2
InChIKeyCZGRBCOYSQYZLJ-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.42
Rot. Bonds3

About [3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine

[3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine (PubChem CID 145337617) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is [3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine.

Molecular Properties

Compound Name[3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine
PubChem CID145337617
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name[3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine
SMILESNCC1CC2CC(CC3(F)CC3)=CC12
InChIInChI=1S/C12H18FN/c13-12(1-2-12)6-8-3-9-5-10(7-14)11(9)4-8/h4,9-11H,1-3,5-7,14H2
InChIKeyCZGRBCOYSQYZLJ-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.42
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 [3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine?
The IUPAC name of [3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine (CID 145337617) is [3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine.
What is the SMILES notation for [3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine?
The canonical SMILES for [3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine is NCC1CC2CC(CC3(F)CC3)=CC12.
What is the InChIKey of [3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine?
The InChIKey is CZGRBCOYSQYZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c13-12(1-2-12)6-8-3-9-5-10(7-14)11(9)4-8/h4,9-11H,1-3,5-7,14H2.
What are the key properties of [3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine?
[3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine has a molecular weight of 195.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine is sourced from PubChem (CID 145337617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).