2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide

C10H19F3N2O2 — CID 118151604

IUPAC2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide
SMILESCNCCCCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-14-5-3-2-4-7-17-8-6-15-9(16)10(11,12)13/h14H,2-8H2,1H3,(H,15,16)
InChIKeyORANDJBGPANBNS-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.07
Rot. Bonds9

About 2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide

2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide (PubChem CID 118151604) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide
PubChem CID118151604
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide
SMILESCNCCCCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-14-5-3-2-4-7-17-8-6-15-9(16)10(11,12)13/h14H,2-8H2,1H3,(H,15,16)
InChIKeyORANDJBGPANBNS-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Acetamide, N-tetrahydrofurfuryl-2,2,2-trifluoro-
CID 532126
N-[2-fluoro-3-[5-[(2-methoxyacetyl)amino]pentoxy]propyl]propanamide
CID 142623130
N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-methoxyacetamide
CID 155404657
N-[5-(3-acetamido-2-fluoropropoxy)pentyl]-2-propan-2-yloxyacetamide
CID 166800940
3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine
CID 169293331
5-ethoxy-N-ethyl-2,2-difluoropentanamide
CID 169923750
3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propanamide
CID 45806630
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887332
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943620
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943621
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943622
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943623

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide (CID 118151604) is 2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide is CNCCCCCOCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide?
The InChIKey is ORANDJBGPANBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-14-5-3-2-4-7-17-8-6-15-9(16)10(11,12)13/h14H,2-8H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide has a molecular weight of 256.27 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide is sourced from PubChem (CID 118151604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).