2-ethyl-6,6,6-trifluoro-4-methylhexanamide

C9H16F3NO — CID 20705384

IUPAC2-ethyl-6,6,6-trifluoro-4-methylhexanamide
SMILESCCC(CC(C)CC(F)(F)F)C(N)=O
InChIInChI=1S/C9H16F3NO/c1-3-7(8(13)14)4-6(2)5-9(10,11)12/h6-7H,3-5H2,1-2H3,(H2,13,14)
InChIKeyZPXZZOXYVGBXBM-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.48
Rot. Bonds5

About 2-ethyl-6,6,6-trifluoro-4-methylhexanamide

2-ethyl-6,6,6-trifluoro-4-methylhexanamide (PubChem CID 20705384) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-ethyl-6,6,6-trifluoro-4-methylhexanamide.

Molecular Properties

Compound Name2-ethyl-6,6,6-trifluoro-4-methylhexanamide
PubChem CID20705384
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-ethyl-6,6,6-trifluoro-4-methylhexanamide
SMILESCCC(CC(C)CC(F)(F)F)C(N)=O
InChIInChI=1S/C9H16F3NO/c1-3-7(8(13)14)4-6(2)5-9(10,11)12/h6-7H,3-5H2,1-2H3,(H2,13,14)
InChIKeyZPXZZOXYVGBXBM-UHFFFAOYSA-N
XLogP2.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-acetyl-2-ethyl-6-methyloctanamide
CID 58825488
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
CID 89449425
1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
CID 155426955
(2R)-2,4-diethylhexanamide
CID 95562524
4-carbamoyl-2-methylhexanoic acid
CID 20783257
1,1,1-trifluoro-3-methylpentane
CID 21020397
4,6-dicarbamoyl-2-methyloctanoic acid
CID 89382059
dodecane-2,4,6,8-tetracarboxamide
CID 89075509
4-carbamoylhexane-2-sulfinic acid
CID 58120546
(2S,4R)-4-carbamoyl-2-propylhexanoic acid
CID 59815875
(4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide
CID 155622219
2-fluoro-4-methyl-2-propan-2-ylhexanamide
CID 139916528

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,6,6-trifluoro-4-methylhexanamide?
The IUPAC name of 2-ethyl-6,6,6-trifluoro-4-methylhexanamide (CID 20705384) is 2-ethyl-6,6,6-trifluoro-4-methylhexanamide.
What is the SMILES notation for 2-ethyl-6,6,6-trifluoro-4-methylhexanamide?
The canonical SMILES for 2-ethyl-6,6,6-trifluoro-4-methylhexanamide is CCC(CC(C)CC(F)(F)F)C(N)=O.
What is the InChIKey of 2-ethyl-6,6,6-trifluoro-4-methylhexanamide?
The InChIKey is ZPXZZOXYVGBXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-7(8(13)14)4-6(2)5-9(10,11)12/h6-7H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of 2-ethyl-6,6,6-trifluoro-4-methylhexanamide?
2-ethyl-6,6,6-trifluoro-4-methylhexanamide has a molecular weight of 211.23 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,6,6-trifluoro-4-methylhexanamide is sourced from PubChem (CID 20705384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).