3-fluoro-N-propan-2-ylazetidine-1-carboxamide

C7H13FN2O — CID 130694453

IUPAC3-fluoro-N-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(F)C1
InChIInChI=1S/C7H13FN2O/c1-5(2)9-7(11)10-3-6(8)4-10/h5-6H,3-4H2,1-2H3,(H,9,11)
InChIKeyFSJMYTUJTOWWPF-UHFFFAOYSA-N
MW160.19 g/mol
LogP0.76
Rot. Bonds1

About 3-fluoro-N-propan-2-ylazetidine-1-carboxamide

3-fluoro-N-propan-2-ylazetidine-1-carboxamide (PubChem CID 130694453) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 3-fluoro-N-propan-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-propan-2-ylazetidine-1-carboxamide
PubChem CID130694453
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name3-fluoro-N-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(F)C1
InChIInChI=1S/C7H13FN2O/c1-5(2)9-7(11)10-3-6(8)4-10/h5-6H,3-4H2,1-2H3,(H,9,11)
InChIKeyFSJMYTUJTOWWPF-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-propan-2-ylazetidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-propan-2-ylazetidine-1-carboxamide (CID 130694453) is 3-fluoro-N-propan-2-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-propan-2-ylazetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-propan-2-ylazetidine-1-carboxamide is CC(C)NC(=O)N1CC(F)C1.
What is the InChIKey of 3-fluoro-N-propan-2-ylazetidine-1-carboxamide?
The InChIKey is FSJMYTUJTOWWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-5(2)9-7(11)10-3-6(8)4-10/h5-6H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 3-fluoro-N-propan-2-ylazetidine-1-carboxamide?
3-fluoro-N-propan-2-ylazetidine-1-carboxamide has a molecular weight of 160.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-propan-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 130694453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).