2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide

C10H18F3N3O2 — CID 71411634

IUPAC2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide
SMILESO=C(NCCN1CCN(CCO)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)9(18)14-1-2-15-3-5-16(6-4-15)7-8-17/h17H,1-8H2,(H,14,18)
InChIKeyDJXYNLOZRRMURJ-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.73
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 71411634) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide
PubChem CID71411634
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide
SMILESO=C(NCCN1CCN(CCO)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)9(18)14-1-2-15-3-5-16(6-4-15)7-8-17/h17H,1-8H2,(H,14,18)
InChIKeyDJXYNLOZRRMURJ-UHFFFAOYSA-N
XLogP-0.73
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide (CID 71411634) is 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide is O=C(NCCN1CCN(CCO)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is DJXYNLOZRRMURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)9(18)14-1-2-15-3-5-16(6-4-15)7-8-17/h17H,1-8H2,(H,14,18).
What are the key properties of 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 269.27 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 71411634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).