5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one

C16H23F2NO3 — CID 168720259

IUPAC5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one
SMILESC=C(CC(F)(F)C(=O)N1CCOCC1)C1CCC(C)C(=O)C1
InChIInChI=1S/C16H23F2NO3/c1-11-3-4-13(9-14(11)20)12(2)10-16(17,18)15(21)19-5-7-22-8-6-19/h11,13H,2-10H2,1H3
InChIKeyZKCVXDLNAGEGAI-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.43
Rot. Bonds4

About 5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one

5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one (PubChem CID 168720259) has the molecular formula C16H23F2NO3 and a molecular weight of 315.36 g/mol. Its IUPAC name is 5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one
PubChem CID168720259
Molecular FormulaC16H23F2NO3
Molecular Weight315.36 g/mol
Exact Mass315.16
IUPAC Name5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one
SMILESC=C(CC(F)(F)C(=O)N1CCOCC1)C1CCC(C)C(=O)C1
InChIInChI=1S/C16H23F2NO3/c1-11-3-4-13(9-14(11)20)12(2)10-16(17,18)15(21)19-5-7-22-8-6-19/h11,13H,2-10H2,1H3
InChIKeyZKCVXDLNAGEGAI-UHFFFAOYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one with MolForge

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Related Compounds

Morpholine, 4-(2-(4-(2-methylpropyl)-1-cyclohexen-1-yl)-1-oxobutyl)-
CID 214706
2,2-Difluoro-5-methyl-4-methylene-1-morpholinohexan-1-one
CID 168720300
5-Ethyl-2,2-difluoro-4-methylene-1-morpholinoheptan-1-one
CID 168720301
2,2-Difluoro-6-methyl-4-methylene-1-morpholinoheptan-1-one
CID 168720304
2,2-Difluoro-6,6-dimethyl-4-methylene-1-morpholinoheptan-1-one
CID 168720305
(4R,4aS,6R)-6-(4,4-difluoro-5-morpholino-5-oxopent-1-en-2-yl)-4,4a-dimethyl4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
CID 168720248
(R)-2,2-difluoro-4-(4-methylcyclohex-3-en-1-yl)-1-morpholinopent-4-en-1-one
CID 168720250
(S)-5-(4,4-difluoro-5-morpholino-5-oxopent-1-en-2-yl)-2-methylcyclohex-2-en-1-one
CID 168720253
(2-Fluoro-4-methylidenecyclohexyl)-morpholin-4-ylmethanone
CID 91199630
2-(7,7-Dimethyl-4-methylidene-3-bicyclo[4.1.0]heptanyl)-2,2-difluoro-1-morpholin-4-ylethanone
CID 170555192
(E)-4-[5-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-en-2-one
CID 170555208
(3-Methylidenecyclohexyl)-morpholin-4-ylmethanone
CID 90956679

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one?
The IUPAC name of 5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one (CID 168720259) is 5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one.
What is the SMILES notation for 5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one?
The canonical SMILES for 5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one is C=C(CC(F)(F)C(=O)N1CCOCC1)C1CCC(C)C(=O)C1.
What is the InChIKey of 5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one?
The InChIKey is ZKCVXDLNAGEGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3/c1-11-3-4-13(9-14(11)20)12(2)10-16(17,18)15(21)19-5-7-22-8-6-19/h11,13H,2-10H2,1H3.
What are the key properties of 5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one?
5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one has a molecular weight of 315.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoro-5-morpholin-4-yl-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one is sourced from PubChem (CID 168720259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).