[2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride

C9H15ClF3N — CID 167715874

IUPAC[2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride
SMILESCl.NCC1CC2(C1)CC(C(F)(F)F)C2
InChIInChI=1S/C9H14F3N.ClH/c10-9(11,12)7-3-8(4-7)1-6(2-8)5-13;/h6-7H,1-5,13H2;1H
InChIKeyJRFZEKNSJHKLQK-UHFFFAOYSA-N
MW229.67 g/mol
LogP2.74
Rot. Bonds1

About [2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride

[2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride (PubChem CID 167715874) has the molecular formula C9H15ClF3N and a molecular weight of 229.67 g/mol. Its IUPAC name is [2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride
PubChem CID167715874
Molecular FormulaC9H15ClF3N
Molecular Weight229.67 g/mol
Exact Mass229.08
IUPAC Name[2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride
SMILESCl.NCC1CC2(C1)CC(C(F)(F)F)C2
InChIInChI=1S/C9H14F3N.ClH/c10-9(11,12)7-3-8(4-7)1-6(2-8)5-13;/h6-7H,1-5,13H2;1H
InChIKeyJRFZEKNSJHKLQK-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride?
The IUPAC name of [2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride (CID 167715874) is [2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride?
The canonical SMILES for [2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride is Cl.NCC1CC2(C1)CC(C(F)(F)F)C2.
What is the InChIKey of [2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride?
The InChIKey is JRFZEKNSJHKLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N.ClH/c10-9(11,12)7-3-8(4-7)1-6(2-8)5-13;/h6-7H,1-5,13H2;1H.
What are the key properties of [2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride?
[2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride has a molecular weight of 229.67 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine;hydrochloride is sourced from PubChem (CID 167715874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).