N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride

C10H16ClF3N2O — CID 139026531

IUPACN-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.O=C(NCC1CNCC12CCC2)C(F)(F)F
InChIInChI=1S/C10H15F3N2O.ClH/c11-10(12,13)8(16)15-5-7-4-14-6-9(7)2-1-3-9;/h7,14H,1-6H2,(H,15,16);1H
InChIKeyZQVZXBVLPUNXHN-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.48
Rot. Bonds2

About N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride

N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride (PubChem CID 139026531) has the molecular formula C10H16ClF3N2O and a molecular weight of 272.70 g/mol. Its IUPAC name is N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride
PubChem CID139026531
Molecular FormulaC10H16ClF3N2O
Molecular Weight272.70 g/mol
Exact Mass272.09
IUPAC NameN-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.O=C(NCC1CNCC12CCC2)C(F)(F)F
InChIInChI=1S/C10H15F3N2O.ClH/c11-10(12,13)8(16)15-5-7-4-14-6-9(7)2-1-3-9;/h7,14H,1-6H2,(H,15,16);1H
InChIKeyZQVZXBVLPUNXHN-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride?
The IUPAC name of N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride (CID 139026531) is N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride.
What is the SMILES notation for N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride?
The canonical SMILES for N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride is Cl.O=C(NCC1CNCC12CCC2)C(F)(F)F.
What is the InChIKey of N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride?
The InChIKey is ZQVZXBVLPUNXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O.ClH/c11-10(12,13)8(16)15-5-7-4-14-6-9(7)2-1-3-9;/h7,14H,1-6H2,(H,15,16);1H.
What are the key properties of N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride?
N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride has a molecular weight of 272.70 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azaspiro[3.4]octan-8-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride is sourced from PubChem (CID 139026531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).