2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C11H21F3N2O2 — CID 103949936

IUPAC2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)C(CCO)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-10(2,3)8(4-5-17)15-6-9(18)16-7-11(12,13)14/h8,15,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyKCDBSXOPNXAVFB-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.05
Rot. Bonds6

About 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103949936) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103949936
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC Name2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)C(CCO)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-10(2,3)8(4-5-17)15-6-9(18)16-7-11(12,13)14/h8,15,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyKCDBSXOPNXAVFB-UHFFFAOYSA-N
XLogP1.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]acetamide
CID 169193243
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961948
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62022395
N1-(3-hydroxy-4,4-dimethylpentyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 71787638
2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 75449284
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79249020
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79249786
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260673
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260758
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261004
2-amino-3,3,3-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpropanamide
CID 79805882
2-(5-hydroxypentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 80294589

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 103949936) is 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(C)C(CCO)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KCDBSXOPNXAVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-10(2,3)8(4-5-17)15-6-9(18)16-7-11(12,13)14/h8,15,17H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 270.30 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103949936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).