4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine

C17H24FNO — CID 142475073

IUPAC4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine
SMILESCC(C)=CC(CCc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H24FNO/c1-14(2)13-17(19-9-11-20-12-10-19)8-5-15-3-6-16(18)7-4-15/h3-4,6-7,13,17H,5,8-12H2,1-2H3
InChIKeyKOOGBCGGAWTFTO-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.43
Rot. Bonds5

About 4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine

4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine (PubChem CID 142475073) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine
PubChem CID142475073
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine
SMILESCC(C)=CC(CCc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H24FNO/c1-14(2)13-17(19-9-11-20-12-10-19)8-5-15-3-6-16(18)7-4-15/h3-4,6-7,13,17H,5,8-12H2,1-2H3
InChIKeyKOOGBCGGAWTFTO-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-morpholin-4-ylbutyl)phenol
CID 2846721
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
1-[2-(4-fluorophenyl)ethyl]-3-[(2R)-2-morpholin-4-yl-2-phenylethyl]urea
CID 51934907
1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea
CID 30521535
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide
CID 110304177
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021468
1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 42928186
2-amino-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 126595681
1-[2-(4-fluorophenyl)ethyl]-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 34692095
4-[bis(4-fluorophenyl)methyl]morpholine
CID 25146239
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine?
The IUPAC name of 4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine (CID 142475073) is 4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine?
The canonical SMILES for 4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine is CC(C)=CC(CCc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine?
The InChIKey is KOOGBCGGAWTFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-14(2)13-17(19-9-11-20-12-10-19)8-5-15-3-6-16(18)7-4-15/h3-4,6-7,13,17H,5,8-12H2,1-2H3.
What are the key properties of 4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine?
4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine has a molecular weight of 277.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]morpholine is sourced from PubChem (CID 142475073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).