2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide

C9H15F3N2O2 — CID 103809649

IUPAC2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)4-14-8(16)5-2-1-3-6(5)13/h5-7,15H,1-4,13H2,(H,14,16)
InChIKeyCHXUBPOAWFLDPQ-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.15
Rot. Bonds3

About 2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide

2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide (PubChem CID 103809649) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
PubChem CID103809649
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)4-14-8(16)5-2-1-3-6(5)13/h5-7,15H,1-4,13H2,(H,14,16)
InChIKeyCHXUBPOAWFLDPQ-UHFFFAOYSA-N
XLogP0.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide (CID 103809649) is 2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide is NC1CCCC1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The InChIKey is CHXUBPOAWFLDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)4-14-8(16)5-2-1-3-6(5)13/h5-7,15H,1-4,13H2,(H,14,16).
What are the key properties of 2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 103809649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).