2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one

C16H23F2NO2 — CID 168720250

IUPAC2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one
SMILESC=C(CC(F)(F)C(=O)N1CCOCC1)[C@H]1CC=C(C)CC1
InChIInChI=1S/C16H23F2NO2/c1-12-3-5-14(6-4-12)13(2)11-16(17,18)15(20)19-7-9-21-10-8-19/h3,14H,2,4-11H2,1H3/t14-/m0/s1
InChIKeyIRQMZQXAWQKVCP-AWEZNQCLSA-N
MW299.36 g/mol
LogP3.17
Rot. Bonds4

About 2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one

2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 168720250) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one
PubChem CID168720250
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one
SMILESC=C(CC(F)(F)C(=O)N1CCOCC1)[C@H]1CC=C(C)CC1
InChIInChI=1S/C16H23F2NO2/c1-12-3-5-14(6-4-12)13(2)11-16(17,18)15(20)19-7-9-21-10-8-19/h3,14H,2,4-11H2,1H3/t14-/m0/s1
InChIKeyIRQMZQXAWQKVCP-AWEZNQCLSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of 2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one (CID 168720250) is 2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for 2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for 2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one is C=C(CC(F)(F)C(=O)N1CCOCC1)[C@H]1CC=C(C)CC1.
What is the InChIKey of 2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is IRQMZQXAWQKVCP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-12-3-5-14(6-4-12)13(2)11-16(17,18)15(20)19-7-9-21-10-8-19/h3,14H,2,4-11H2,1H3/t14-/m0/s1.
What are the key properties of 2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one?
2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one has a molecular weight of 299.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-[(1R)-4-methylcyclohex-3-en-1-yl]-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 168720250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).