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

C9H19F2NO2 — CID 82010148

IUPAC4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCOCC(F)F
InChIInChI=1S/C9H19F2NO2/c1-3-12-9(2,7-13)4-5-14-6-8(10)11/h8,12-13H,3-7H2,1-2H3
InChIKeyWXEULKBVTFIIRY-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.02
Rot. Bonds8

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

4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol (PubChem CID 82010148) has the molecular formula C9H19F2NO2 and a molecular weight of 211.25 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol
PubChem CID82010148
Molecular FormulaC9H19F2NO2
Molecular Weight211.25 g/mol
Exact Mass211.14
IUPAC Name4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCOCC(F)F
InChIInChI=1S/C9H19F2NO2/c1-3-12-9(2,7-13)4-5-14-6-8(10)11/h8,12-13H,3-7H2,1-2H3
InChIKeyWXEULKBVTFIIRY-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.02
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 4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol?
The IUPAC name of 4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol (CID 82010148) is 4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol is CCNC(C)(CO)CCOCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol?
The InChIKey is WXEULKBVTFIIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO2/c1-3-12-9(2,7-13)4-5-14-6-8(10)11/h8,12-13H,3-7H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol?
4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol has a molecular weight of 211.25 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 82010148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).