N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide

C9H16F2N2O2 — CID 114826486

IUPACN-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCC(F)(F)CN)CO1
InChIInChI=1S/C9H16F2N2O2/c1-6-2-7(3-15-6)8(14)13-5-9(10,11)4-12/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyKYQIXMBHJAICHG-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.12
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide

N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide (PubChem CID 114826486) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide
PubChem CID114826486
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCC(F)(F)CN)CO1
InChIInChI=1S/C9H16F2N2O2/c1-6-2-7(3-15-6)8(14)13-5-9(10,11)4-12/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyKYQIXMBHJAICHG-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide
CID 169194180
2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 79759508
2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide
CID 82794266
5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
CID 102677252
N-(3,3-difluoro-2-hydroxypropyl)-5-methyloxolane-3-carboxamide
CID 102677258
N-(2,2-difluoro-3-hydroxypropyl)-5-methyloxolane-3-carboxamide
CID 102677286
2,4,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
CID 105648765
N-(3,3-difluoro-2-hydroxypropyl)-2-ethyloxolane-3-carboxamide
CID 105727197
N-(3-amino-2,2-difluoropropyl)-2-ethyloxolane-3-carboxamide
CID 105727676
2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 105735425
2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide
CID 105735986
N-(2-aminoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 105742540

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide (CID 114826486) is N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NCC(F)(F)CN)CO1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide?
The InChIKey is KYQIXMBHJAICHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c1-6-2-7(3-15-6)8(14)13-5-9(10,11)4-12/h6-7H,2-5,12H2,1H3,(H,13,14).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide has a molecular weight of 222.23 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114826486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).