N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol

C18H36F3NO2 — CID 145149400

IUPACN-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol
SMILESCCCCC(C)(C)CNC(C)=O.CCCC[C@](C)(CO)C(F)(F)F
InChIInChI=1S/C10H21NO.C8H15F3O/c1-5-6-7-10(3,4)8-11-9(2)12;1-3-4-5-7(2,6-12)8(9,10)11/h5-8H2,1-4H3,(H,11,12);12H,3-6H2,1-2H3/t;7-/m.1/s1
InChIKeyBJPYKNIHPHOHPD-HMZWWLAASA-N
MW355.49 g/mol
LogP5.08
Rot. Bonds9

About N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol

N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol (PubChem CID 145149400) has the molecular formula C18H36F3NO2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound NameN-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol
PubChem CID145149400
Molecular FormulaC18H36F3NO2
Molecular Weight355.49 g/mol
Exact Mass355.27
IUPAC NameN-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol
SMILESCCCCC(C)(C)CNC(C)=O.CCCC[C@](C)(CO)C(F)(F)F
InChIInChI=1S/C10H21NO.C8H15F3O/c1-5-6-7-10(3,4)8-11-9(2)12;1-3-4-5-7(2,6-12)8(9,10)11/h5-8H2,1-4H3,(H,11,12);12H,3-6H2,1-2H3/t;7-/m.1/s1
InChIKeyBJPYKNIHPHOHPD-HMZWWLAASA-N
XLogP5.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide
CID 87145885
N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide
CID 140655088
ethane;N-(2-methylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol
CID 145149403
6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide
CID 159844266
ethane;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide
CID 176937290
2,2-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 103513974
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725742
2,2,3,3-tetrafluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103820625
4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 103899394
3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 103899402
2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899670

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol?
The IUPAC name of N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol (CID 145149400) is N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol?
The canonical SMILES for N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol is CCCCC(C)(C)CNC(C)=O.CCCC[C@](C)(CO)C(F)(F)F.
What is the InChIKey of N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol?
The InChIKey is BJPYKNIHPHOHPD-HMZWWLAASA-N. The full InChI is InChI=1S/C10H21NO.C8H15F3O/c1-5-6-7-10(3,4)8-11-9(2)12;1-3-4-5-7(2,6-12)8(9,10)11/h5-8H2,1-4H3,(H,11,12);12H,3-6H2,1-2H3/t;7-/m.1/s1.
What are the key properties of N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol?
N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol has a molecular weight of 355.49 g/mol, XLogP of 5.08, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 145149400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).