1-(4-fluorobutyl)pyrrolidin-2-imine

C8H15FN2 — CID 130592970

IUPAC1-(4-fluorobutyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCCCF
InChIInChI=1S/C8H15FN2/c9-5-1-2-6-11-7-3-4-8(11)10/h10H,1-7H2/b10-8+
InChIKeyLGQLWFZRPVOVOC-CSKARUKUSA-N
MW158.22 g/mol
LogP1.81
Rot. Bonds4

About 1-(4-fluorobutyl)pyrrolidin-2-imine

1-(4-fluorobutyl)pyrrolidin-2-imine (PubChem CID 130592970) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-(4-fluorobutyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(4-fluorobutyl)pyrrolidin-2-imine
PubChem CID130592970
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name1-(4-fluorobutyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCCCF
InChIInChI=1S/C8H15FN2/c9-5-1-2-6-11-7-3-4-8(11)10/h10H,1-7H2/b10-8+
InChIKeyLGQLWFZRPVOVOC-CSKARUKUSA-N
XLogP1.81
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobutyl)pyrrolidin-2-imine?
The IUPAC name of 1-(4-fluorobutyl)pyrrolidin-2-imine (CID 130592970) is 1-(4-fluorobutyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(4-fluorobutyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(4-fluorobutyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CCCCF.
What is the InChIKey of 1-(4-fluorobutyl)pyrrolidin-2-imine?
The InChIKey is LGQLWFZRPVOVOC-CSKARUKUSA-N. The full InChI is InChI=1S/C8H15FN2/c9-5-1-2-6-11-7-3-4-8(11)10/h10H,1-7H2/b10-8+.
What are the key properties of 1-(4-fluorobutyl)pyrrolidin-2-imine?
1-(4-fluorobutyl)pyrrolidin-2-imine has a molecular weight of 158.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutyl)pyrrolidin-2-imine is sourced from PubChem (CID 130592970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).