2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol

C7H15F2NO2 — CID 82009567

IUPAC2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol
SMILESCC(N)(CO)CCOCC(F)F
InChIInChI=1S/C7H15F2NO2/c1-7(10,5-11)2-3-12-4-6(8)9/h6,11H,2-5,10H2,1H3
InChIKeyWJCBZRNYTKKQMO-UHFFFAOYSA-N
MW183.20 g/mol
LogP0.37
Rot. Bonds6

About 2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol

2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol (PubChem CID 82009567) has the molecular formula C7H15F2NO2 and a molecular weight of 183.20 g/mol. Its IUPAC name is 2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol
PubChem CID82009567
Molecular FormulaC7H15F2NO2
Molecular Weight183.20 g/mol
Exact Mass183.11
IUPAC Name2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol
SMILESCC(N)(CO)CCOCC(F)F
InChIInChI=1S/C7H15F2NO2/c1-7(10,5-11)2-3-12-4-6(8)9/h6,11H,2-5,10H2,1H3
InChIKeyWJCBZRNYTKKQMO-UHFFFAOYSA-N
XLogP0.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 50.37
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-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol (CID 82009567) is 2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol is CC(N)(CO)CCOCC(F)F.
What is the InChIKey of 2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol?
The InChIKey is WJCBZRNYTKKQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO2/c1-7(10,5-11)2-3-12-4-6(8)9/h6,11H,2-5,10H2,1H3.
What are the key properties of 2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol?
2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol has a molecular weight of 183.20 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,2-difluoroethoxy)-2-methylbutan-1-ol is sourced from PubChem (CID 82009567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).