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

C16H32F3NO — CID 144535590

IUPACethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide
SMILESCC.CC(C)CCC(C)(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C14H26F3NO.C2H6/c1-10(2)7-8-13(6,12(3,4)5)18-11(19)9-14(15,16)17;1-2/h10H,7-9H2,1-6H3,(H,18,19);1-2H3
InChIKeyXJAGQSZYGZVCJT-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.32
Rot. Bonds5

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

ethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide (PubChem CID 144535590) has the molecular formula C16H32F3NO and a molecular weight of 311.43 g/mol. Its IUPAC name is ethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide.

Molecular Properties

Compound Nameethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide
PubChem CID144535590
Molecular FormulaC16H32F3NO
Molecular Weight311.43 g/mol
Exact Mass311.24
IUPAC Nameethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide
SMILESCC.CC(C)CCC(C)(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C14H26F3NO.C2H6/c1-10(2)7-8-13(6,12(3,4)5)18-11(19)9-14(15,16)17;1-2/h10H,7-9H2,1-6H3,(H,18,19);1-2H3
InChIKeyXJAGQSZYGZVCJT-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide?
The IUPAC name of ethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide (CID 144535590) is ethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide.
What is the SMILES notation for ethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide?
The canonical SMILES for ethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide is CC.CC(C)CCC(C)(NC(=O)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of ethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide?
The InChIKey is XJAGQSZYGZVCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO.C2H6/c1-10(2)7-8-13(6,12(3,4)5)18-11(19)9-14(15,16)17;1-2/h10H,7-9H2,1-6H3,(H,18,19);1-2H3.
What are the key properties of ethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide?
ethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,3-trifluoro-N-(2,2,3,6-tetramethylheptan-3-yl)propanamide is sourced from PubChem (CID 144535590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).