1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one

C10H19F2NO2 — CID 107481227

IUPAC1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C10H19F2NO2/c1-10(2,3)8(15)6-13(4-5-14)7-9(11)12/h9,14H,4-7H2,1-3H3
InChIKeyBUTQAZYASADFSG-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.16
Rot. Bonds6

About 1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one

1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 107481227) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one
PubChem CID107481227
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C10H19F2NO2/c1-10(2,3)8(15)6-13(4-5-14)7-9(11)12/h9,14H,4-7H2,1-3H3
InChIKeyBUTQAZYASADFSG-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one (CID 107481227) is 1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CN(CCO)CC(F)F.
What is the InChIKey of 1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is BUTQAZYASADFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-10(2,3)8(15)6-13(4-5-14)7-9(11)12/h9,14H,4-7H2,1-3H3.
What are the key properties of 1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one?
1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 223.26 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 107481227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).