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

C8H15FN2O — CID 137474317

IUPAC3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide
SMILESCC(C)NC(=O)C1(F)CN(C)C1
InChIInChI=1S/C8H15FN2O/c1-6(2)10-7(12)8(9)4-11(3)5-8/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyADDIDENHKGRFGV-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.16
Rot. Bonds2

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

3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide (PubChem CID 137474317) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide
PubChem CID137474317
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide
SMILESCC(C)NC(=O)C1(F)CN(C)C1
InChIInChI=1S/C8H15FN2O/c1-6(2)10-7(12)8(9)4-11(3)5-8/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyADDIDENHKGRFGV-UHFFFAOYSA-N
XLogP0.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide (CID 137474317) is 3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide is CC(C)NC(=O)C1(F)CN(C)C1.
What is the InChIKey of 3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide?
The InChIKey is ADDIDENHKGRFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-6(2)10-7(12)8(9)4-11(3)5-8/h6H,4-5H2,1-3H3,(H,10,12).
What are the key properties of 3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide?
3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide has a molecular weight of 174.22 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide is sourced from PubChem (CID 137474317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).