methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate

C10H19F2NO3 — CID 107480808

IUPACmethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(CCO)CC(F)F
InChIInChI=1S/C10H19F2NO3/c1-10(2,9(15)16-3)7-13(4-5-14)6-8(11)12/h8,14H,4-7H2,1-3H3
InChIKeyHPBMTNNZZLNZNV-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.75
Rot. Bonds7

About methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate

methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate (PubChem CID 107480808) has the molecular formula C10H19F2NO3 and a molecular weight of 239.26 g/mol. Its IUPAC name is methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate
PubChem CID107480808
Molecular FormulaC10H19F2NO3
Molecular Weight239.26 g/mol
Exact Mass239.13
IUPAC Namemethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(CCO)CC(F)F
InChIInChI=1S/C10H19F2NO3/c1-10(2,9(15)16-3)7-13(4-5-14)6-8(11)12/h8,14H,4-7H2,1-3H3
InChIKeyHPBMTNNZZLNZNV-UHFFFAOYSA-N
XLogP0.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate (CID 107480808) is methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN(CCO)CC(F)F.
What is the InChIKey of methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate?
The InChIKey is HPBMTNNZZLNZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3/c1-10(2,9(15)16-3)7-13(4-5-14)6-8(11)12/h8,14H,4-7H2,1-3H3.
What are the key properties of methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate?
methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate has a molecular weight of 239.26 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 107480808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).