2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide

C8H14F3NO2 — CID 130901653

IUPAC2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide
SMILESCC(O)CC(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(3-6(2)13)4-12-7(14)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyDFACHLNIICAYKO-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds4

About 2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide

2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide (PubChem CID 130901653) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide
PubChem CID130901653
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide
SMILESCC(O)CC(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(3-6(2)13)4-12-7(14)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyDFACHLNIICAYKO-UHFFFAOYSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide
CID 130006525
2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847
1-(4-hydroxy-2,2-dimethylpentyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111507544
1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea
CID 97099381
N-(4-bromo-2-methyl-3-oxobutyl)-2,2,2-trifluoroacetamide
CID 104701210
1,1-diethyl-3-(4-hydroxy-2-methylpentyl)urea
CID 71911296
1-[(2,2,2-trifluoroacetyl)amino]propane-2-sulfonyl chloride
CID 84707964
N-(1,4-dihydroxypentan-2-yl)-2,2,2-trifluoroacetamide
CID 123267888
1-(4-hydroxy-2-methylpentyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111454154
N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide
CID 130913971
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
CID 155217722

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide (CID 130901653) is 2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide is CC(O)CC(C)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide?
The InChIKey is DFACHLNIICAYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-5(3-6(2)13)4-12-7(14)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide?
2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide has a molecular weight of 213.20 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide is sourced from PubChem (CID 130901653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).