4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide

C8H14F3NO2 — CID 79192041

IUPAC4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide
SMILESCC(O)CCC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(13)2-3-7(14)12-5-4-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyKEZMANSXRMFITM-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.22
Rot. Bonds5

About 4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide

4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide (PubChem CID 79192041) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide
PubChem CID79192041
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide
SMILESCC(O)CCC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(13)2-3-7(14)12-5-4-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyKEZMANSXRMFITM-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide?
The IUPAC name of 4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide (CID 79192041) is 4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide?
The canonical SMILES for 4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide is CC(O)CCC(=O)NCCC(F)(F)F.
What is the InChIKey of 4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide?
The InChIKey is KEZMANSXRMFITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6(13)2-3-7(14)12-5-4-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14).
What are the key properties of 4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide?
4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide has a molecular weight of 213.20 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide is sourced from PubChem (CID 79192041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).