3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride

C11H13ClFN — CID 155894595

IUPAC3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
SMILESCl.NC12CC(c3ccc(F)cc3)(C1)C2
InChIInChI=1S/C11H12FN.ClH/c12-9-3-1-8(2-4-9)10-5-11(13,6-10)7-10;/h1-4H,5-7,13H2;1H
InChIKeyHJPFAKPNPWLEEA-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.38
Rot. Bonds1

About 3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride

3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride (PubChem CID 155894595) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
PubChem CID155894595
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
SMILESCl.NC12CC(c3ccc(F)cc3)(C1)C2
InChIInChI=1S/C11H12FN.ClH/c12-9-3-1-8(2-4-9)10-5-11(13,6-10)7-10;/h1-4H,5-7,13H2;1H
InChIKeyHJPFAKPNPWLEEA-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride (CID 155894595) is 3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride is Cl.NC12CC(c3ccc(F)cc3)(C1)C2.
What is the InChIKey of 3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride?
The InChIKey is HJPFAKPNPWLEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN.ClH/c12-9-3-1-8(2-4-9)10-5-11(13,6-10)7-10;/h1-4H,5-7,13H2;1H.
What are the key properties of 3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride?
3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride has a molecular weight of 213.68 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride is sourced from PubChem (CID 155894595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).