N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide

C11H20F2N2O2 — CID 114106413

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)N(CCN)CC(F)F
InChIInChI=1S/C11H20F2N2O2/c1-2-9-8(3-6-17-9)11(16)15(5-4-14)7-10(12)13/h8-10H,2-7,14H2,1H3
InChIKeyVGYSDDQEAXIERB-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.85
Rot. Bonds6

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide (PubChem CID 114106413) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide
PubChem CID114106413
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)N(CCN)CC(F)F
InChIInChI=1S/C11H20F2N2O2/c1-2-9-8(3-6-17-9)11(16)15(5-4-14)7-10(12)13/h8-10H,2-7,14H2,1H3
InChIKeyVGYSDDQEAXIERB-UHFFFAOYSA-N
XLogP0.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide (CID 114106413) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide is CCC1OCCC1C(=O)N(CCN)CC(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide?
The InChIKey is VGYSDDQEAXIERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-2-9-8(3-6-17-9)11(16)15(5-4-14)7-10(12)13/h8-10H,2-7,14H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide is sourced from PubChem (CID 114106413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).