4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine

C13H20FNO — CID 144553453

IUPAC4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine
SMILESCCC(C1C=CC(F)=CC1)N1CCOCC1
InChIInChI=1S/C13H20FNO/c1-2-13(15-7-9-16-10-8-15)11-3-5-12(14)6-4-11/h3,5-6,11,13H,2,4,7-10H2,1H3
InChIKeyFOJIMMQOPJDMMN-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.53
Rot. Bonds3

About 4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine

4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine (PubChem CID 144553453) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine
PubChem CID144553453
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine
SMILESCCC(C1C=CC(F)=CC1)N1CCOCC1
InChIInChI=1S/C13H20FNO/c1-2-13(15-7-9-16-10-8-15)11-3-5-12(14)6-4-11/h3,5-6,11,13H,2,4,7-10H2,1H3
InChIKeyFOJIMMQOPJDMMN-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine?
The IUPAC name of 4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine (CID 144553453) is 4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine?
The canonical SMILES for 4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine is CCC(C1C=CC(F)=CC1)N1CCOCC1.
What is the InChIKey of 4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine?
The InChIKey is FOJIMMQOPJDMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-2-13(15-7-9-16-10-8-15)11-3-5-12(14)6-4-11/h3,5-6,11,13H,2,4,7-10H2,1H3.
What are the key properties of 4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine?
4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine has a molecular weight of 225.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)propyl]morpholine is sourced from PubChem (CID 144553453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).