3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride

C5H9ClFN — CID 91928350

IUPAC3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride
SMILESCl.NC12CC(F)(C1)C2
InChIInChI=1S/C5H8FN.ClH/c6-4-1-5(7,2-4)3-4;/h1-3,7H2;1H
InChIKeyXILAEKMSLWYFHT-UHFFFAOYSA-N
MW137.59 g/mol
LogP1.01
Rot. Bonds

About 3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride

3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride (PubChem CID 91928350) has the molecular formula C5H9ClFN and a molecular weight of 137.59 g/mol. Its IUPAC name is 3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride
PubChem CID91928350
Molecular FormulaC5H9ClFN
Molecular Weight137.59 g/mol
Exact Mass137.04
IUPAC Name3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride
SMILESCl.NC12CC(F)(C1)C2
InChIInChI=1S/C5H8FN.ClH/c6-4-1-5(7,2-4)3-4;/h1-3,7H2;1H
InChIKeyXILAEKMSLWYFHT-UHFFFAOYSA-N
XLogP1.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.59
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride?
The IUPAC name of 3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride (CID 91928350) is 3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride.
What is the SMILES notation for 3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride?
The canonical SMILES for 3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride is Cl.NC12CC(F)(C1)C2.
What is the InChIKey of 3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride?
The InChIKey is XILAEKMSLWYFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN.ClH/c6-4-1-5(7,2-4)3-4;/h1-3,7H2;1H.
What are the key properties of 3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride?
3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride has a molecular weight of 137.59 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobicyclo[1.1.1]pentan-1-amine;hydrochloride is sourced from PubChem (CID 91928350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).