4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide

C9H16F3NO2 — CID 107300412

IUPAC4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide
SMILESCC(O)CCCNC(=O)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(14)3-2-6-13-8(15)4-5-9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15)
InChIKeySDCKAHZURCODJQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.61
Rot. Bonds6

About 4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide

4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide (PubChem CID 107300412) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide
PubChem CID107300412
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide
SMILESCC(O)CCCNC(=O)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(14)3-2-6-13-8(15)4-5-9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15)
InChIKeySDCKAHZURCODJQ-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.61
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 4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide (CID 107300412) is 4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide is CC(O)CCCNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide?
The InChIKey is SDCKAHZURCODJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(14)3-2-6-13-8(15)4-5-9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15).
What are the key properties of 4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide?
4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide has a molecular weight of 227.23 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide is sourced from PubChem (CID 107300412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).