1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol

C8H17F2NO — CID 78963808

IUPAC1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(F)F)CC(C)(C)O
InChIInChI=1S/C8H17F2NO/c1-4-11(5-7(9)10)6-8(2,3)12/h7,12H,4-6H2,1-3H3
InChIKeyINGBEDDBVWHTAY-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.34
Rot. Bonds5

About 1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol

1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol (PubChem CID 78963808) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol
PubChem CID78963808
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(F)F)CC(C)(C)O
InChIInChI=1S/C8H17F2NO/c1-4-11(5-7(9)10)6-8(2,3)12/h7,12H,4-6H2,1-3H3
InChIKeyINGBEDDBVWHTAY-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol (CID 78963808) is 1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol is CCN(CC(F)F)CC(C)(C)O.
What is the InChIKey of 1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol?
The InChIKey is INGBEDDBVWHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-4-11(5-7(9)10)6-8(2,3)12/h7,12H,4-6H2,1-3H3.
What are the key properties of 1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol?
1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol has a molecular weight of 181.23 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoroethyl(ethyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78963808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).