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

C8H16F3NO2 — CID 106506296

IUPAC2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol
SMILESCC(CN)(CO)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(4-12,5-13)2-3-14-6-8(9,10)11/h13H,2-6,12H2,1H3
InChIKeyVACODIWGPRZKNF-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.91
Rot. Bonds6

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

2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol (PubChem CID 106506296) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol
PubChem CID106506296
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol
SMILESCC(CN)(CO)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(4-12,5-13)2-3-14-6-8(9,10)11/h13H,2-6,12H2,1H3
InChIKeyVACODIWGPRZKNF-UHFFFAOYSA-N
XLogP0.91
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.91
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-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol (CID 106506296) is 2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol is CC(CN)(CO)CCOCC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The InChIKey is VACODIWGPRZKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-7(4-12,5-13)2-3-14-6-8(9,10)11/h13H,2-6,12H2,1H3.
What are the key properties of 2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol?
2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol has a molecular weight of 215.21 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-ol is sourced from PubChem (CID 106506296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).