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

C10H18F2N2O2 — CID 107493384

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CCN)CC(F)F
InChIInChI=1S/C10H18F2N2O2/c1-7-8(2-5-16-7)10(15)14(4-3-13)6-9(11)12/h7-9H,2-6,13H2,1H3
InChIKeyYAKKUJHEWOYICC-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.46
Rot. Bonds5

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

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide (PubChem CID 107493384) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide
PubChem CID107493384
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CCN)CC(F)F
InChIInChI=1S/C10H18F2N2O2/c1-7-8(2-5-16-7)10(15)14(4-3-13)6-9(11)12/h7-9H,2-6,13H2,1H3
InChIKeyYAKKUJHEWOYICC-UHFFFAOYSA-N
XLogP0.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 79759508
2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide
CID 82812058
N-(2,2-difluoro-3-hydroxypropyl)-2-methyloxolane-3-carboxamide
CID 104857843
N-(3-amino-2,2-difluoropropyl)-2-ethyloxolane-3-carboxamide
CID 105727676
2-[(2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 105736417
2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]propanamide
CID 105737646
N-(2-aminoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 105742540
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide
CID 107493193
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 107493218
N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide
CID 107493264
N-(2-aminoethyl)-N-(2,2-difluoroethyl)oxane-4-carboxamide
CID 107493351
N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 107493470

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide (CID 107493384) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)N(CCN)CC(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide?
The InChIKey is YAKKUJHEWOYICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-7-8(2-5-16-7)10(15)14(4-3-13)6-9(11)12/h7-9H,2-6,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.46, 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-methyloxolane-3-carboxamide is sourced from PubChem (CID 107493384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).