5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide

C13H24F3NO — CID 167281792

IUPAC5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide
SMILESCC(C)CC(C)NC(=O)CCC(C)(C)C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-9(2)8-10(3)17-11(18)6-7-12(4,5)13(14,15)16/h9-10H,6-8H2,1-5H3,(H,17,18)
InChIKeyOSYSZYJGCLOXMC-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.91
Rot. Bonds6

About 5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide

5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide (PubChem CID 167281792) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide
PubChem CID167281792
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide
SMILESCC(C)CC(C)NC(=O)CCC(C)(C)C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-9(2)8-10(3)17-11(18)6-7-12(4,5)13(14,15)16/h9-10H,6-8H2,1-5H3,(H,17,18)
InChIKeyOSYSZYJGCLOXMC-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide?
The IUPAC name of 5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide (CID 167281792) is 5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide.
What is the SMILES notation for 5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide?
The canonical SMILES for 5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide is CC(C)CC(C)NC(=O)CCC(C)(C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide?
The InChIKey is OSYSZYJGCLOXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9(2)8-10(3)17-11(18)6-7-12(4,5)13(14,15)16/h9-10H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide?
5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide has a molecular weight of 267.33 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4,4-dimethyl-N-(4-methylpentan-2-yl)pentanamide is sourced from PubChem (CID 167281792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).