3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide

C14H26F3NO — CID 90347347

IUPAC3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide
SMILESCC(C)(C)CCC(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C14H26F3NO/c1-12(2,3)8-7-10(13(4,5)6)18-11(19)9-14(15,16)17/h10H,7-9H2,1-6H3,(H,18,19)
InChIKeyADFUEDRMHRUGCN-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.30
Rot. Bonds4

About 3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide

3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide (PubChem CID 90347347) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide
PubChem CID90347347
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide
SMILESCC(C)(C)CCC(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C14H26F3NO/c1-12(2,3)8-7-10(13(4,5)6)18-11(19)9-14(15,16)17/h10H,7-9H2,1-6H3,(H,18,19)
InChIKeyADFUEDRMHRUGCN-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide (CID 90347347) is 3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide is CC(C)(C)CCC(NC(=O)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of 3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide?
The InChIKey is ADFUEDRMHRUGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-12(2,3)8-7-10(13(4,5)6)18-11(19)9-14(15,16)17/h10H,7-9H2,1-6H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide?
3,3,3-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide has a molecular weight of 281.36 g/mol, XLogP of 4.30, 4 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-(2,2,6,6-tetramethylheptan-3-yl)propanamide is sourced from PubChem (CID 90347347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).