2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide

C7H12F3NO2 — CID 87630277

IUPAC2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide
SMILESCCCCC(O)NC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-3-4-5(12)11-6(13)7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)
InChIKeyPFQCBULFEBKXTI-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.17
Rot. Bonds4

About 2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide

2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide (PubChem CID 87630277) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide
PubChem CID87630277
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide
SMILESCCCCC(O)NC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-3-4-5(12)11-6(13)7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)
InChIKeyPFQCBULFEBKXTI-UHFFFAOYSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide (CID 87630277) is 2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide is CCCCC(O)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide?
The InChIKey is PFQCBULFEBKXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-2-3-4-5(12)11-6(13)7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide?
2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide has a molecular weight of 199.17 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide is sourced from PubChem (CID 87630277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).