2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C12H22F2N2O2 — CID 107485089

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C12H22F2N2O2/c1-4-16(7-10(2)3)12(18)9-15(5-6-17)8-11(13)14/h11,17H,2,4-9H2,1,3H3
InChIKeyALSVQQDZQOSTRA-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.97
Rot. Bonds9

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 107485089) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID107485089
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C12H22F2N2O2/c1-4-16(7-10(2)3)12(18)9-15(5-6-17)8-11(13)14/h11,17H,2,4-9H2,1,3H3
InChIKeyALSVQQDZQOSTRA-UHFFFAOYSA-N
XLogP0.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol
CID 107485262
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide
CID 107494429
N-ethyl-2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide
CID 62015880
3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61009237
N-cyclopropyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 107484970
butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
CID 107480814
2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442339
N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485154
2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656730
ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
CID 107483466
2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 106511560
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 107485003

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 107485089) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is ALSVQQDZQOSTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-4-16(7-10(2)3)12(18)9-15(5-6-17)8-11(13)14/h11,17H,2,4-9H2,1,3H3.
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 0.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 107485089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).