3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide

C8H14F2N2O2 — CID 167134983

IUPAC3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C8H14F2N2O2/c1-5(2)11-8(13)12-3-6(4-12)14-7(9)10/h5-7H,3-4H2,1-2H3,(H,11,13)
InChIKeyXWYVUYHLGCIEKJ-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.03
Rot. Bonds3

About 3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide

3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide (PubChem CID 167134983) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide
PubChem CID167134983
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C8H14F2N2O2/c1-5(2)11-8(13)12-3-6(4-12)14-7(9)10/h5-7H,3-4H2,1-2H3,(H,11,13)
InChIKeyXWYVUYHLGCIEKJ-UHFFFAOYSA-N
XLogP1.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide (CID 167134983) is 3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide is CC(C)NC(=O)N1CC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide?
The InChIKey is XWYVUYHLGCIEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-5(2)11-8(13)12-3-6(4-12)14-7(9)10/h5-7H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide?
3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide has a molecular weight of 208.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 167134983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).