2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide

C12H18F2N2O3 — CID 107485690

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C12H18F2N2O3/c1-15(7-10-3-2-6-19-10)12(18)9-16(4-5-17)8-11(13)14/h2-3,6,11,17H,4-5,7-9H2,1H3
InChIKeyPQELGLJTQBSLTN-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.80
Rot. Bonds8

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 107485690) has the molecular formula C12H18F2N2O3 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID107485690
Molecular FormulaC12H18F2N2O3
Molecular Weight276.28 g/mol
Exact Mass276.13
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C12H18F2N2O3/c1-15(7-10-3-2-6-19-10)12(18)9-16(4-5-17)8-11(13)14/h2-3,6,11,17H,4-5,7-9H2,1H3
InChIKeyPQELGLJTQBSLTN-UHFFFAOYSA-N
XLogP0.80
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
CID 62022579
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 107485003
methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
CID 62012537
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
5-[furan-2-ylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966065
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66219613
2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61198284
2-(3-aminobutylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66234187
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 107485690) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is PQELGLJTQBSLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O3/c1-15(7-10-3-2-6-19-10)12(18)9-16(4-5-17)8-11(13)14/h2-3,6,11,17H,4-5,7-9H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 276.28 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 107485690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).