3,3,3-trifluoro-N-pentylpropanamide

C8H14F3NO — CID 54486385

IUPAC3,3,3-trifluoro-N-pentylpropanamide
SMILESCCCCCNC(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-3-4-5-12-7(13)6-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyUGJXUCUWLCODPT-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.25
Rot. Bonds5

About 3,3,3-trifluoro-N-pentylpropanamide

3,3,3-trifluoro-N-pentylpropanamide (PubChem CID 54486385) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-pentylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-pentylpropanamide
PubChem CID54486385
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3,3,3-trifluoro-N-pentylpropanamide
SMILESCCCCCNC(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-3-4-5-12-7(13)6-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyUGJXUCUWLCODPT-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,3,3-trifluoro-N-pentylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-pentylpropanamide (CID 54486385) is 3,3,3-trifluoro-N-pentylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-pentylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-pentylpropanamide is CCCCCNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-pentylpropanamide?
The InChIKey is UGJXUCUWLCODPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-3-4-5-12-7(13)6-8(9,10)11/h2-6H2,1H3,(H,12,13).
What are the key properties of 3,3,3-trifluoro-N-pentylpropanamide?
3,3,3-trifluoro-N-pentylpropanamide has a molecular weight of 197.20 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-pentylpropanamide is sourced from PubChem (CID 54486385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).