[(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone

C11H15F2NO — CID 164639471

IUPAC[(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone
SMILESO=C([C@@H]1CC=CCC1)N1CC(C(F)F)C1
InChIInChI=1S/C11H15F2NO/c12-10(13)9-6-14(7-9)11(15)8-4-2-1-3-5-8/h1-2,8-10H,3-7H2/t8-/m1/s1
InChIKeyZLLAFUJUYKRICJ-MRVPVSSYSA-N
MW215.24 g/mol
LogP2.07
Rot. Bonds2

About [(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone

[(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone (PubChem CID 164639471) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone
PubChem CID164639471
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name[(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone
SMILESO=C([C@@H]1CC=CCC1)N1CC(C(F)F)C1
InChIInChI=1S/C11H15F2NO/c12-10(13)9-6-14(7-9)11(15)8-4-2-1-3-5-8/h1-2,8-10H,3-7H2/t8-/m1/s1
InChIKeyZLLAFUJUYKRICJ-MRVPVSSYSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone (CID 164639471) is [(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone is O=C([C@@H]1CC=CCC1)N1CC(C(F)F)C1.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone?
The InChIKey is ZLLAFUJUYKRICJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F2NO/c12-10(13)9-6-14(7-9)11(15)8-4-2-1-3-5-8/h1-2,8-10H,3-7H2/t8-/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone?
[(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone has a molecular weight of 215.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]-[3-(difluoromethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 164639471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).