butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate

C10H19F2NO3 — CID 107480814

IUPACbutyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
SMILESCCCCOC(=O)CN(CCO)CC(F)F
InChIInChI=1S/C10H19F2NO3/c1-2-3-6-16-10(15)8-13(4-5-14)7-9(11)12/h9,14H,2-8H2,1H3
InChIKeyMILVHZYUHMEPIP-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.89
Rot. Bonds9

About butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate

butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate (PubChem CID 107480814) has the molecular formula C10H19F2NO3 and a molecular weight of 239.26 g/mol. Its IUPAC name is butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
PubChem CID107480814
Molecular FormulaC10H19F2NO3
Molecular Weight239.26 g/mol
Exact Mass239.13
IUPAC Namebutyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
SMILESCCCCOC(=O)CN(CCO)CC(F)F
InChIInChI=1S/C10H19F2NO3/c1-2-3-6-16-10(15)8-13(4-5-14)7-9(11)12/h9,14H,2-8H2,1H3
InChIKeyMILVHZYUHMEPIP-UHFFFAOYSA-N
XLogP0.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-[bis(2-ethoxyethyl)amino]acetate
CID 82951802
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
CID 62026057
pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate
CID 129286302
undecyl 6-[hexadecyl(2-hydroxyethyl)amino]hexanoate
CID 163381111
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
butyl 2-(dimethylamino)acetate;methane
CID 157088664
2-[2-[2-(didecylamino)acetyl]oxyethyldisulfanyl]ethyl 8-[dodecyl(2-hydroxyethyl)amino]octanoate
CID 171586205
magnesium;butyl 2-hydroxyacetate;hydride
CID 173215691
tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate
CID 60689457
9-[dodecyl(hydroxy)amino]nonyl 2-(didecylamino)acetate
CID 171586143

Frequently Asked Questions

What is the IUPAC name of butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate?
The IUPAC name of butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate (CID 107480814) is butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate?
The canonical SMILES for butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate is CCCCOC(=O)CN(CCO)CC(F)F.
What is the InChIKey of butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate?
The InChIKey is MILVHZYUHMEPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3/c1-2-3-6-16-10(15)8-13(4-5-14)7-9(11)12/h9,14H,2-8H2,1H3.
What are the key properties of butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate?
butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate has a molecular weight of 239.26 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate is sourced from PubChem (CID 107480814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).