N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride

C8H12ClF3N2O — CID 19429317

IUPACN-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.O=C(NC1CNCC12CC2)C(F)(F)F
InChIInChI=1S/C8H11F3N2O.ClH/c9-8(10,11)6(14)13-5-3-12-4-7(5)1-2-7;/h5,12H,1-4H2,(H,13,14);1H
InChIKeyASNLNQHOACPNRV-UHFFFAOYSA-N
MW244.64 g/mol
LogP0.84
Rot. Bonds1

About N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride

N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride (PubChem CID 19429317) has the molecular formula C8H12ClF3N2O and a molecular weight of 244.64 g/mol. Its IUPAC name is N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride
PubChem CID19429317
Molecular FormulaC8H12ClF3N2O
Molecular Weight244.64 g/mol
Exact Mass244.06
IUPAC NameN-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.O=C(NC1CNCC12CC2)C(F)(F)F
InChIInChI=1S/C8H11F3N2O.ClH/c9-8(10,11)6(14)13-5-3-12-4-7(5)1-2-7;/h5,12H,1-4H2,(H,13,14);1H
InChIKeyASNLNQHOACPNRV-UHFFFAOYSA-N
XLogP0.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.64
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride?
The IUPAC name of N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride (CID 19429317) is N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride.
What is the SMILES notation for N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride?
The canonical SMILES for N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride is Cl.O=C(NC1CNCC12CC2)C(F)(F)F.
What is the InChIKey of N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride?
The InChIKey is ASNLNQHOACPNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O.ClH/c9-8(10,11)6(14)13-5-3-12-4-7(5)1-2-7;/h5,12H,1-4H2,(H,13,14);1H.
What are the key properties of N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride?
N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride has a molecular weight of 244.64 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride is sourced from PubChem (CID 19429317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).