3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol

C8H17F2NO2 — CID 82008853

IUPAC3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol
SMILESCCNC(C)(CO)COCC(F)F
InChIInChI=1S/C8H17F2NO2/c1-3-11-8(2,5-12)6-13-4-7(9)10/h7,11-12H,3-6H2,1-2H3
InChIKeyZWEWDIXYNRGJHV-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.63
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol

3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol (PubChem CID 82008853) has the molecular formula C8H17F2NO2 and a molecular weight of 197.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol
PubChem CID82008853
Molecular FormulaC8H17F2NO2
Molecular Weight197.22 g/mol
Exact Mass197.12
IUPAC Name3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol
SMILESCCNC(C)(CO)COCC(F)F
InChIInChI=1S/C8H17F2NO2/c1-3-11-8(2,5-12)6-13-4-7(9)10/h7,11-12H,3-6H2,1-2H3
InChIKeyZWEWDIXYNRGJHV-UHFFFAOYSA-N
XLogP0.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol (CID 82008853) is 3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol is CCNC(C)(CO)COCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol?
The InChIKey is ZWEWDIXYNRGJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO2/c1-3-11-8(2,5-12)6-13-4-7(9)10/h7,11-12H,3-6H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol?
3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol has a molecular weight of 197.22 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 82008853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).