2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol

C7H14F3NO2 — CID 82721379

IUPAC2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol
SMILESCC(C)(O)CCNOCC(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-6(2,12)3-4-11-13-5-7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyYEELSOKKJPPWDL-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.23
Rot. Bonds5

About 2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol

2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol (PubChem CID 82721379) has the molecular formula C7H14F3NO2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol
PubChem CID82721379
Molecular FormulaC7H14F3NO2
Molecular Weight201.19 g/mol
Exact Mass201.10
IUPAC Name2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol
SMILESCC(C)(O)CCNOCC(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-6(2,12)3-4-11-13-5-7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyYEELSOKKJPPWDL-UHFFFAOYSA-N
XLogP1.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trifluoroethoxy)dodecan-1-amine
CID 82721644
N-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 82711441
N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide
CID 107529803
2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol
CID 114493475
methyl 3-(2,2,2-trifluoroethoxyamino)propanoate
CID 82722499
2-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
CID 104644918
3-methylsulfanyl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82712078
4-methylsulfanyl-N-(2,2,2-trifluoroethoxy)butan-1-amine
CID 103088300
2-methylsulfonyl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82721276
N-(2,2,2-trifluoroethoxy)but-3-yn-1-amine
CID 82722724
4-(2,2,2-trifluoroethoxyamino)butanenitrile
CID 82722741
1-[(2-methylpropan-2-yl)oxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82722599

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol?
The IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol (CID 82721379) is 2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol?
The canonical SMILES for 2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol is CC(C)(O)CCNOCC(F)(F)F.
What is the InChIKey of 2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol?
The InChIKey is YEELSOKKJPPWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2/c1-6(2,12)3-4-11-13-5-7(8,9)10/h11-12H,3-5H2,1-2H3.
What are the key properties of 2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol?
2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol has a molecular weight of 201.19 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol is sourced from PubChem (CID 82721379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).