4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide

C7H12F3NO3 — CID 82721487

IUPAC4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide
SMILESCC(O)CCC(=O)NOCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-5(12)2-3-6(13)11-14-4-7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)
InChIKeyLIFMPNDYDPOTBD-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.76
Rot. Bonds5

About 4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide

4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide (PubChem CID 82721487) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide
PubChem CID82721487
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide
SMILESCC(O)CCC(=O)NOCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-5(12)2-3-6(13)11-14-4-7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)
InChIKeyLIFMPNDYDPOTBD-UHFFFAOYSA-N
XLogP0.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxypentaneamide
CID 21402940
5,5,5-Trifluoro-4-hydroxy-valeric acid amide
CID 87928088
(4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide
CID 140657262
4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide
CID 82722218
4-methoxy-N-(2,2,2-trifluoroethoxy)pentanamide
CID 104100139
(4-Hydroxypentanoylamino) trifluoromethanesulfonate
CID 162547992
N,4-dihydroxypentanamide
CID 22085887
4-hydroxy-N-methoxypentanamide
CID 79193402
(4S)-4-hydroxypentanamide
CID 101703464
(4R)-4-hydroxypentanamide
CID 101703465
N,4-dihydroxyhexanamide
CID 24205102
N-ethoxy-4-hydroxypentanamide
CID 79191769

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide?
The IUPAC name of 4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide (CID 82721487) is 4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide?
The canonical SMILES for 4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide is CC(O)CCC(=O)NOCC(F)(F)F.
What is the InChIKey of 4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide?
The InChIKey is LIFMPNDYDPOTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-5(12)2-3-6(13)11-14-4-7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13).
What are the key properties of 4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide?
4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide has a molecular weight of 215.17 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide is sourced from PubChem (CID 82721487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).