1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide

C9H15F3N2O2 — CID 79653421

IUPAC1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide
SMILESCC(OC1CCC(N)(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-5(9(10,11)12)16-6-2-3-8(14,4-6)7(13)15/h5-6H,2-4,14H2,1H3,(H2,13,15)
InChIKeyXHCNXHCSQITGJB-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.69
Rot. Bonds3

About 1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide

1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide (PubChem CID 79653421) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide
PubChem CID79653421
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide
SMILESCC(OC1CCC(N)(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-5(9(10,11)12)16-6-2-3-8(14,4-6)7(13)15/h5-6H,2-4,14H2,1H3,(H2,13,15)
InChIKeyXHCNXHCSQITGJB-UHFFFAOYSA-N
XLogP0.69
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide (CID 79653421) is 1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide is CC(OC1CCC(N)(C(N)=O)C1)C(F)(F)F.
What is the InChIKey of 1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide?
The InChIKey is XHCNXHCSQITGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-5(9(10,11)12)16-6-2-3-8(14,4-6)7(13)15/h5-6H,2-4,14H2,1H3,(H2,13,15).
What are the key properties of 1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide?
1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 79653421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).