2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol

C7H14F3NO2 — CID 64804913

IUPAC2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol
SMILESCC(N)(CO)CCOCC(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-6(11,4-12)2-3-13-5-7(8,9)10/h12H,2-5,11H2,1H3
InChIKeyWNBBORLJIPSCBL-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.67
Rot. Bonds5

About 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol

2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol (PubChem CID 64804913) has the molecular formula C7H14F3NO2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol
PubChem CID64804913
Molecular FormulaC7H14F3NO2
Molecular Weight201.19 g/mol
Exact Mass201.10
IUPAC Name2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol
SMILESCC(N)(CO)CCOCC(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-6(11,4-12)2-3-13-5-7(8,9)10/h12H,2-5,11H2,1H3
InChIKeyWNBBORLJIPSCBL-UHFFFAOYSA-N
XLogP0.67
TPSA55.48 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 ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol (CID 64804913) is 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol is CC(N)(CO)CCOCC(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The InChIKey is WNBBORLJIPSCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2/c1-6(11,4-12)2-3-13-5-7(8,9)10/h12H,2-5,11H2,1H3.
What are the key properties of 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol?
2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol has a molecular weight of 201.19 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol is sourced from PubChem (CID 64804913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).