1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C10H15ClF3N3O2 — CID 120851395

IUPAC1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(COCC(F)(F)F)n2)CCCC1
InChIInChI=1S/C10H14F3N3O2.ClH/c11-10(12,13)6-17-5-7-15-8(16-18-7)9(14)3-1-2-4-9;/h1-6,14H2;1H
InChIKeyBISLWQGJAIZIPU-UHFFFAOYSA-N
MW301.70 g/mol
LogP2.30
Rot. Bonds4

About 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120851395) has the molecular formula C10H15ClF3N3O2 and a molecular weight of 301.70 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120851395
Molecular FormulaC10H15ClF3N3O2
Molecular Weight301.70 g/mol
Exact Mass301.08
IUPAC Name1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(COCC(F)(F)F)n2)CCCC1
InChIInChI=1S/C10H14F3N3O2.ClH/c11-10(12,13)6-17-5-7-15-8(16-18-7)9(14)3-1-2-4-9;/h1-6,14H2;1H
InChIKeyBISLWQGJAIZIPU-UHFFFAOYSA-N
XLogP2.30
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120851395) is 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(COCC(F)(F)F)n2)CCCC1.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is BISLWQGJAIZIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2.ClH/c11-10(12,13)6-17-5-7-15-8(16-18-7)9(14)3-1-2-4-9;/h1-6,14H2;1H.
What are the key properties of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 301.70 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120851395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).