3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide

C11H20F3NO2 — CID 103726295

IUPAC3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
SMILESCC(CC(=O)NCC(O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H20F3NO2/c1-7(10(2,3)4)5-9(17)15-6-8(16)11(12,13)14/h7-8,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyUCXXTZXFIUDBEJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.10
Rot. Bonds4

About 3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide

3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide (PubChem CID 103726295) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide.

Molecular Properties

Compound Name3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
PubChem CID103726295
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
SMILESCC(CC(=O)NCC(O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H20F3NO2/c1-7(10(2,3)4)5-9(17)15-6-8(16)11(12,13)14/h7-8,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyUCXXTZXFIUDBEJ-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
The IUPAC name of 3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide (CID 103726295) is 3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide.
What is the SMILES notation for 3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
The canonical SMILES for 3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide is CC(CC(=O)NCC(O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
The InChIKey is UCXXTZXFIUDBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-7(10(2,3)4)5-9(17)15-6-8(16)11(12,13)14/h7-8,16H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide has a molecular weight of 255.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide is sourced from PubChem (CID 103726295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).