2-fluorospiro[3.3]heptan-6-amine;hydrochloride

C7H13ClFN — CID 105432874

IUPAC2-fluorospiro[3.3]heptan-6-amine;hydrochloride
SMILESCl.NC1CC2(C1)CC(F)C2
InChIInChI=1S/C7H12FN.ClH/c8-5-1-7(2-5)3-6(9)4-7;/h5-6H,1-4,9H2;1H
InChIKeyQJUJRBISCAJLJD-UHFFFAOYSA-N
MW165.64 g/mol
LogP1.65
Rot. Bonds

About 2-fluorospiro[3.3]heptan-6-amine;hydrochloride

2-fluorospiro[3.3]heptan-6-amine;hydrochloride (PubChem CID 105432874) has the molecular formula C7H13ClFN and a molecular weight of 165.64 g/mol. Its IUPAC name is 2-fluorospiro[3.3]heptan-6-amine;hydrochloride.

Molecular Properties

Compound Name2-fluorospiro[3.3]heptan-6-amine;hydrochloride
PubChem CID105432874
Molecular FormulaC7H13ClFN
Molecular Weight165.64 g/mol
Exact Mass165.07
IUPAC Name2-fluorospiro[3.3]heptan-6-amine;hydrochloride
SMILESCl.NC1CC2(C1)CC(F)C2
InChIInChI=1S/C7H12FN.ClH/c8-5-1-7(2-5)3-6(9)4-7;/h5-6H,1-4,9H2;1H
InChIKeyQJUJRBISCAJLJD-UHFFFAOYSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.64
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluorospiro[3.3]heptan-6-amine;hydrochloride?
The IUPAC name of 2-fluorospiro[3.3]heptan-6-amine;hydrochloride (CID 105432874) is 2-fluorospiro[3.3]heptan-6-amine;hydrochloride.
What is the SMILES notation for 2-fluorospiro[3.3]heptan-6-amine;hydrochloride?
The canonical SMILES for 2-fluorospiro[3.3]heptan-6-amine;hydrochloride is Cl.NC1CC2(C1)CC(F)C2.
What is the InChIKey of 2-fluorospiro[3.3]heptan-6-amine;hydrochloride?
The InChIKey is QJUJRBISCAJLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN.ClH/c8-5-1-7(2-5)3-6(9)4-7;/h5-6H,1-4,9H2;1H.
What are the key properties of 2-fluorospiro[3.3]heptan-6-amine;hydrochloride?
2-fluorospiro[3.3]heptan-6-amine;hydrochloride has a molecular weight of 165.64 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorospiro[3.3]heptan-6-amine;hydrochloride is sourced from PubChem (CID 105432874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).