N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide

C12H22F2N2O2 — CID 107493218

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCN)CC(F)F)C1C
InChIInChI=1S/C12H22F2N2O2/c1-7-8(2)18-9(3)11(7)12(17)16(5-4-15)6-10(13)14/h7-11H,4-6,15H2,1-3H3
InChIKeyBFUZFOZWVJPRHA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.10
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 107493218) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID107493218
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCN)CC(F)F)C1C
InChIInChI=1S/C12H22F2N2O2/c1-7-8(2)18-9(3)11(7)12(17)16(5-4-15)6-10(13)14/h7-11H,4-6,15H2,1-3H3
InChIKeyBFUZFOZWVJPRHA-UHFFFAOYSA-N
XLogP1.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.10
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)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 107493218) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)N(CCN)CC(F)F)C1C.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is BFUZFOZWVJPRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-7-8(2)18-9(3)11(7)12(17)16(5-4-15)6-10(13)14/h7-11H,4-6,15H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.10, 5 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)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 107493218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).