N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide

C13H22F2N2O2 — CID 107485088

IUPACN-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide
SMILESCCN(C(=O)CN(CCO)CC(F)F)C1=CCCC1
InChIInChI=1S/C13H22F2N2O2/c1-2-17(11-5-3-4-6-11)13(19)10-16(7-8-18)9-12(14)15/h5,12,18H,2-4,6-10H2,1H3
InChIKeyFAWDGDJBTAKHGG-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.46
Rot. Bonds8

About N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide

N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide (PubChem CID 107485088) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide.

Molecular Properties

Compound NameN-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide
PubChem CID107485088
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC NameN-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide
SMILESCCN(C(=O)CN(CCO)CC(F)F)C1=CCCC1
InChIInChI=1S/C13H22F2N2O2/c1-2-17(11-5-3-4-6-11)13(19)10-16(7-8-18)9-12(14)15/h5,12,18H,2-4,6-10H2,1H3
InChIKeyFAWDGDJBTAKHGG-UHFFFAOYSA-N
XLogP1.46
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258853
2-[[2-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262231
N-(cyclopenten-1-yl)-N-ethyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 103864828
N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
CID 103865000
N-(cyclohexen-1-yl)-N-ethyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 103865019
N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 107485411
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485499
N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide
CID 107485682
2-[[2-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442341
2-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442661
2-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 54900285
2-[[2-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 54900337

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide?
The IUPAC name of N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide (CID 107485088) is N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide.
What is the SMILES notation for N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide?
The canonical SMILES for N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide is CCN(C(=O)CN(CCO)CC(F)F)C1=CCCC1.
What is the InChIKey of N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide?
The InChIKey is FAWDGDJBTAKHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-2-17(11-5-3-4-6-11)13(19)10-16(7-8-18)9-12(14)15/h5,12,18H,2-4,6-10H2,1H3.
What are the key properties of N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide?
N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide has a molecular weight of 276.33 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide is sourced from PubChem (CID 107485088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).