4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine

C13H18FNO — CID 163449747

IUPAC4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine
SMILESC=C(C1C=CC(C)=CC1F)N1CCOCC1
InChIInChI=1S/C13H18FNO/c1-10-3-4-12(13(14)9-10)11(2)15-5-7-16-8-6-15/h3-4,9,12-13H,2,5-8H2,1H3
InChIKeyBFPFWHZLUWWAOP-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.30
Rot. Bonds2

About 4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine

4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine (PubChem CID 163449747) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine.

Molecular Properties

Compound Name4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine
PubChem CID163449747
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine
SMILESC=C(C1C=CC(C)=CC1F)N1CCOCC1
InChIInChI=1S/C13H18FNO/c1-10-3-4-12(13(14)9-10)11(2)15-5-7-16-8-6-15/h3-4,9,12-13H,2,5-8H2,1H3
InChIKeyBFPFWHZLUWWAOP-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)morpholine
CID 12856181
4-(2,6-Dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine
CID 70974453
4-(3,5-Difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine
CID 118618025
(2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine
CID 141086244
4-[(6E)-6-(1-fluoroethylidene)cyclohexen-1-yl]morpholine
CID 146608601
7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
CID 163478368
4-[2,6-difluoro-4-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]morpholine
CID 164165311
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859
4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine
CID 166838533
4-[(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 167101631
4-(5-Ethyl-7-fluorocyclohepta-1,4,6-trien-1-yl)morpholine
CID 167284429
4-(2-Fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine
CID 173172155

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine?
The IUPAC name of 4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine (CID 163449747) is 4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine.
What is the SMILES notation for 4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine?
The canonical SMILES for 4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine is C=C(C1C=CC(C)=CC1F)N1CCOCC1.
What is the InChIKey of 4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine?
The InChIKey is BFPFWHZLUWWAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-3-4-12(13(14)9-10)11(2)15-5-7-16-8-6-15/h3-4,9,12-13H,2,5-8H2,1H3.
What are the key properties of 4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine?
4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine has a molecular weight of 223.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine is sourced from PubChem (CID 163449747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).