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

C8H14F3NO2 — CID 79208548

IUPAC5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide
SMILESO=C(CCCCO)NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)4-5-12-7(14)3-1-2-6-13/h13H,1-6H2,(H,12,14)
InChIKeyBPJBZQPARLTDNF-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.22
Rot. Bonds6

About 5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide

5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide (PubChem CID 79208548) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide
PubChem CID79208548
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide
SMILESO=C(CCCCO)NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)4-5-12-7(14)3-1-2-6-13/h13H,1-6H2,(H,12,14)
InChIKeyBPJBZQPARLTDNF-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide?
The IUPAC name of 5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide (CID 79208548) is 5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide?
The canonical SMILES for 5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide is O=C(CCCCO)NCCC(F)(F)F.
What is the InChIKey of 5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide?
The InChIKey is BPJBZQPARLTDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)4-5-12-7(14)3-1-2-6-13/h13H,1-6H2,(H,12,14).
What are the key properties of 5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide?
5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide has a molecular weight of 213.20 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide is sourced from PubChem (CID 79208548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).