2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide

C11H20F3NO2 — CID 103842875

IUPAC2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
SMILESCCCC(CCC)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-3-5-8(6-4-2)10(17)15-7-9(16)11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyDIYOGSJNKMLWBP-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.24
Rot. Bonds7

About 2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide

2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide (PubChem CID 103842875) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide.

Molecular Properties

Compound Name2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
PubChem CID103842875
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
SMILESCCCC(CCC)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-3-5-8(6-4-2)10(17)15-7-9(16)11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyDIYOGSJNKMLWBP-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
The IUPAC name of 2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide (CID 103842875) is 2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide.
What is the SMILES notation for 2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
The canonical SMILES for 2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide is CCCC(CCC)C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
The InChIKey is DIYOGSJNKMLWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-3-5-8(6-4-2)10(17)15-7-9(16)11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide has a molecular weight of 255.28 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide is sourced from PubChem (CID 103842875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).