3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide

C9H15FN2O2 — CID 126794114

IUPAC3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide
SMILESCC1CC(NC(=O)N2CC(F)C2)CO1
InChIInChI=1S/C9H15FN2O2/c1-6-2-8(5-14-6)11-9(13)12-3-7(10)4-12/h6-8H,2-5H2,1H3,(H,11,13)
InChIKeyGEKFBKVRXHBFRD-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.53
Rot. Bonds1

About 3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide

3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide (PubChem CID 126794114) has the molecular formula C9H15FN2O2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide
PubChem CID126794114
Molecular FormulaC9H15FN2O2
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide
SMILESCC1CC(NC(=O)N2CC(F)C2)CO1
InChIInChI=1S/C9H15FN2O2/c1-6-2-8(5-14-6)11-9(13)12-3-7(10)4-12/h6-8H,2-5H2,1H3,(H,11,13)
InChIKeyGEKFBKVRXHBFRD-UHFFFAOYSA-N
XLogP0.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide (CID 126794114) is 3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide is CC1CC(NC(=O)N2CC(F)C2)CO1.
What is the InChIKey of 3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide?
The InChIKey is GEKFBKVRXHBFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O2/c1-6-2-8(5-14-6)11-9(13)12-3-7(10)4-12/h6-8H,2-5H2,1H3,(H,11,13).
What are the key properties of 3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide?
3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide has a molecular weight of 202.23 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide is sourced from PubChem (CID 126794114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).