2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide

C7H12F3NO2 — CID 131175842

IUPAC2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(NC(=O)C(F)(F)F)C(C)(C)O
InChIInChI=1S/C7H12F3NO2/c1-4(6(2,3)13)11-5(12)7(8,9)10/h4,13H,1-3H3,(H,11,12)
InChIKeyVAJFBTFAMUAIDJ-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.82
Rot. Bonds2

About 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide

2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 131175842) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID131175842
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(NC(=O)C(F)(F)F)C(C)(C)O
InChIInChI=1S/C7H12F3NO2/c1-4(6(2,3)13)11-5(12)7(8,9)10/h4,13H,1-3H3,(H,11,12)
InChIKeyVAJFBTFAMUAIDJ-UHFFFAOYSA-N
XLogP0.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(3-hydroxy-3-methylbutyl)acetamide
CID 130168451
N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879224
N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879225
(1,1,1-Trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamic acid
CID 87433314
2,2,2-trifluoro-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 123236542
2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide
CID 123434694
2,2,2-trifluoro-N-[(3S)-2-hydroxy-2-methylpentan-3-yl]acetamide
CID 124171567
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]acetamide
CID 131067302
N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide
CID 139631475
2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide
CID 169194149
2,2,2-trifluoro-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
CID 10846908
2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
CID 57480374

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide (CID 131175842) is 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide is CC(NC(=O)C(F)(F)F)C(C)(C)O.
What is the InChIKey of 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is VAJFBTFAMUAIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-4(6(2,3)13)11-5(12)7(8,9)10/h4,13H,1-3H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide?
2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 199.17 g/mol, XLogP of 0.82, 2 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-(3-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 131175842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).