3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide

C9H14F2N2O2 — CID 122269488

IUPAC3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CC(F)(F)C1
InChIInChI=1S/C9H14F2N2O2/c10-9(11)5-13(6-9)8(14)12-4-7-2-1-3-15-7/h7H,1-6H2,(H,12,14)
InChIKeyGWUWAKJELSIKSE-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.83
Rot. Bonds2

About 3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide

3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide (PubChem CID 122269488) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
PubChem CID122269488
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CC(F)(F)C1
InChIInChI=1S/C9H14F2N2O2/c10-9(11)5-13(6-9)8(14)12-4-7-2-1-3-15-7/h7H,1-6H2,(H,12,14)
InChIKeyGWUWAKJELSIKSE-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 95339170
1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63135781
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
1-(oxolan-2-ylmethylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63126704
3-(1,3-dioxolan-2-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 56505795
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide
CID 4206975
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
5-methyl-1-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122124025

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide (CID 122269488) is 3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide is O=C(NCC1CCCO1)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
The InChIKey is GWUWAKJELSIKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c10-9(11)5-13(6-9)8(14)12-4-7-2-1-3-15-7/h7H,1-6H2,(H,12,14).
What are the key properties of 3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide has a molecular weight of 220.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 122269488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).