N-ethyl-3,3-difluoroazetidine-1-carboxamide

C6H10F2N2O — CID 122269483

IUPACN-ethyl-3,3-difluoroazetidine-1-carboxamide
SMILESCCNC(=O)N1CC(F)(F)C1
InChIInChI=1S/C6H10F2N2O/c1-2-9-5(11)10-3-6(7,8)4-10/h2-4H2,1H3,(H,9,11)
InChIKeyMRQGCSGTLYIXQW-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.67
Rot. Bonds1

About N-ethyl-3,3-difluoroazetidine-1-carboxamide

N-ethyl-3,3-difluoroazetidine-1-carboxamide (PubChem CID 122269483) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is N-ethyl-3,3-difluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,3-difluoroazetidine-1-carboxamide
PubChem CID122269483
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC NameN-ethyl-3,3-difluoroazetidine-1-carboxamide
SMILESCCNC(=O)N1CC(F)(F)C1
InChIInChI=1S/C6H10F2N2O/c1-2-9-5(11)10-3-6(7,8)4-10/h2-4H2,1H3,(H,9,11)
InChIKeyMRQGCSGTLYIXQW-UHFFFAOYSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-difluoroazetidine-1-carboxamide?
The IUPAC name of N-ethyl-3,3-difluoroazetidine-1-carboxamide (CID 122269483) is N-ethyl-3,3-difluoroazetidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3,3-difluoroazetidine-1-carboxamide?
The canonical SMILES for N-ethyl-3,3-difluoroazetidine-1-carboxamide is CCNC(=O)N1CC(F)(F)C1.
What is the InChIKey of N-ethyl-3,3-difluoroazetidine-1-carboxamide?
The InChIKey is MRQGCSGTLYIXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c1-2-9-5(11)10-3-6(7,8)4-10/h2-4H2,1H3,(H,9,11).
What are the key properties of N-ethyl-3,3-difluoroazetidine-1-carboxamide?
N-ethyl-3,3-difluoroazetidine-1-carboxamide has a molecular weight of 164.16 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-difluoroazetidine-1-carboxamide is sourced from PubChem (CID 122269483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).