4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide

C11H20F3NO2 — CID 79204967

IUPAC4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C11H20F3NO2/c1-3-9(4-2)15(8-11(12,13)14)10(17)6-5-7-16/h9,16H,3-8H2,1-2H3
InChIKeyYNSNGDDCQMXVDU-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.34
Rot. Bonds7

About 4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide

4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79204967) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79204967
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C11H20F3NO2/c1-3-9(4-2)15(8-11(12,13)14)10(17)6-5-7-16/h9,16H,3-8H2,1-2H3
InChIKeyYNSNGDDCQMXVDU-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 79204967) is 4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide is CCC(CC)N(CC(F)(F)F)C(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is YNSNGDDCQMXVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-3-9(4-2)15(8-11(12,13)14)10(17)6-5-7-16/h9,16H,3-8H2,1-2H3.
What are the key properties of 4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 255.28 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79204967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).