2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone

C12H18FNO — CID 164631635

IUPAC2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone
SMILESO=C(C[C@@H]1C=CCCC1)N1CC(CF)C1
InChIInChI=1S/C12H18FNO/c13-7-11-8-14(9-11)12(15)6-10-4-2-1-3-5-10/h2,4,10-11H,1,3,5-9H2/t10-/m1/s1
InChIKeyIZOOLVPQFFKHKS-SNVBAGLBSA-N
MW211.28 g/mol
LogP2.16
Rot. Bonds3

About 2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone

2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone (PubChem CID 164631635) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone
PubChem CID164631635
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone
SMILESO=C(C[C@@H]1C=CCCC1)N1CC(CF)C1
InChIInChI=1S/C12H18FNO/c13-7-11-8-14(9-11)12(15)6-10-4-2-1-3-5-10/h2,4,10-11H,1,3,5-9H2/t10-/m1/s1
InChIKeyIZOOLVPQFFKHKS-SNVBAGLBSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.16
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 2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone?
The IUPAC name of 2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone (CID 164631635) is 2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone is O=C(C[C@@H]1C=CCCC1)N1CC(CF)C1.
What is the InChIKey of 2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone?
The InChIKey is IZOOLVPQFFKHKS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18FNO/c13-7-11-8-14(9-11)12(15)6-10-4-2-1-3-5-10/h2,4,10-11H,1,3,5-9H2/t10-/m1/s1.
What are the key properties of 2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone?
2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone has a molecular weight of 211.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclohex-2-en-1-yl]-1-[3-(fluoromethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 164631635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).