N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H17F3N2O2 — CID 78962880

IUPACN-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1(O)CCCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-5-8(16)15-6-9(17)3-1-2-4-9/h14,17H,1-7H2,(H,15,16)
InChIKeyUIYRHPDMGBNTLM-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.56
Rot. Bonds5

About N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78962880) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78962880
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1(O)CCCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-5-8(16)15-6-9(17)3-1-2-4-9/h14,17H,1-7H2,(H,15,16)
InChIKeyUIYRHPDMGBNTLM-UHFFFAOYSA-N
XLogP0.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78962880) is N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is UIYRHPDMGBNTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-5-8(16)15-6-9(17)3-1-2-4-9/h14,17H,1-7H2,(H,15,16).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78962880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).