1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide

C9H15F3N2O2 — CID 82956761

IUPAC1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(OCCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)3-4-16-6-1-2-8(14,5-6)7(13)15/h6H,1-5,14H2,(H2,13,15)
InChIKeyXRFFZEIXSMYLID-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.69
Rot. Bonds4

About 1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide

1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide (PubChem CID 82956761) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide
PubChem CID82956761
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(OCCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)3-4-16-6-1-2-8(14,5-6)7(13)15/h6H,1-5,14H2,(H2,13,15)
InChIKeyXRFFZEIXSMYLID-UHFFFAOYSA-N
XLogP0.69
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide (CID 82956761) is 1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide is NC(=O)C1(N)CCC(OCCC(F)(F)F)C1.
What is the InChIKey of 1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide?
The InChIKey is XRFFZEIXSMYLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)3-4-16-6-1-2-8(14,5-6)7(13)15/h6H,1-5,14H2,(H2,13,15).
What are the key properties of 1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide?
1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 82956761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).