2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride

C7H12ClF2N — CID 71756972

IUPAC2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride
SMILESCl.NC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)3-6(4-7)1-5(10)2-6;/h5H,1-4,10H2;1H
InChIKeyQXXFNNVWYZNJFY-UHFFFAOYSA-N
MW183.63 g/mol
LogP1.94
Rot. Bonds

About 2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride

2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride (PubChem CID 71756972) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is 2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride.

Molecular Properties

Compound Name2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride
PubChem CID71756972
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC Name2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride
SMILESCl.NC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)3-6(4-7)1-5(10)2-6;/h5H,1-4,10H2;1H
InChIKeyQXXFNNVWYZNJFY-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride?
The IUPAC name of 2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride (CID 71756972) is 2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride.
What is the SMILES notation for 2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride?
The canonical SMILES for 2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride is Cl.NC1CC2(C1)CC(F)(F)C2.
What is the InChIKey of 2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride?
The InChIKey is QXXFNNVWYZNJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c8-7(9)3-6(4-7)1-5(10)2-6;/h5H,1-4,10H2;1H.
What are the key properties of 2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride?
2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorospiro[3.3]heptan-6-amine;hydrochloride is sourced from PubChem (CID 71756972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).