4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide

C14H26F3NO — CID 89141406

IUPAC4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCC(C)CC(C(=O)NCC(F)(F)F)C(C)(C)CC
InChIInChI=1S/C14H26F3NO/c1-6-10(3)8-11(13(4,5)7-2)12(19)18-9-14(15,16)17/h10-11H,6-9H2,1-5H3,(H,18,19)
InChIKeySKHCKFHOVWSGKN-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.15
Rot. Bonds7

About 4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide

4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 89141406) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound Name4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID89141406
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCC(C)CC(C(=O)NCC(F)(F)F)C(C)(C)CC
InChIInChI=1S/C14H26F3NO/c1-6-10(3)8-11(13(4,5)7-2)12(19)18-9-14(15,16)17/h10-11H,6-9H2,1-5H3,(H,18,19)
InChIKeySKHCKFHOVWSGKN-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of 4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide (CID 89141406) is 4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for 4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for 4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide is CCC(C)CC(C(=O)NCC(F)(F)F)C(C)(C)CC.
What is the InChIKey of 4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is SKHCKFHOVWSGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-6-10(3)8-11(13(4,5)7-2)12(19)18-9-14(15,16)17/h10-11H,6-9H2,1-5H3,(H,18,19).
What are the key properties of 4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide?
4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 281.36 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 89141406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).