1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide

C8H13F3N2O2 — CID 79649065

IUPAC1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)4-15-5-1-2-7(13,3-5)6(12)14/h5H,1-4,13H2,(H2,12,14)
InChIKeyWFACRCQKURSWIK-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.30
Rot. Bonds3

About 1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide

1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide (PubChem CID 79649065) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide
PubChem CID79649065
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)4-15-5-1-2-7(13,3-5)6(12)14/h5H,1-4,13H2,(H2,12,14)
InChIKeyWFACRCQKURSWIK-UHFFFAOYSA-N
XLogP0.30
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide (CID 79649065) is 1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide is NC(=O)C1(N)CCC(OCC(F)(F)F)C1.
What is the InChIKey of 1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide?
The InChIKey is WFACRCQKURSWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)4-15-5-1-2-7(13,3-5)6(12)14/h5H,1-4,13H2,(H2,12,14).
What are the key properties of 1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide?
1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 79649065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).