4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one

C8H15F2NO2 — CID 107481156

IUPAC4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one
SMILESCC(=O)CCN(CCO)CC(F)F
InChIInChI=1S/C8H15F2NO2/c1-7(13)2-3-11(4-5-12)6-8(9)10/h8,12H,2-6H2,1H3
InChIKeySQODDPYPCXPSGK-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.52
Rot. Bonds7

About 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one (PubChem CID 107481156) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one
PubChem CID107481156
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one
SMILESCC(=O)CCN(CCO)CC(F)F
InChIInChI=1S/C8H15F2NO2/c1-7(13)2-3-11(4-5-12)6-8(9)10/h8,12H,2-6H2,1H3
InChIKeySQODDPYPCXPSGK-UHFFFAOYSA-N
XLogP0.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one?
The IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one (CID 107481156) is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one.
What is the SMILES notation for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one?
The canonical SMILES for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one is CC(=O)CCN(CCO)CC(F)F.
What is the InChIKey of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one?
The InChIKey is SQODDPYPCXPSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-7(13)2-3-11(4-5-12)6-8(9)10/h8,12H,2-6H2,1H3.
What are the key properties of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one?
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one has a molecular weight of 195.21 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]butan-2-one is sourced from PubChem (CID 107481156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).