4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine

C12H22FNO — CID 155178039

IUPAC4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine
SMILESCC/C(F)=C\C(C)(CC)N1CCOCC1
InChIInChI=1S/C12H22FNO/c1-4-11(13)10-12(3,5-2)14-6-8-15-9-7-14/h10H,4-9H2,1-3H3/b11-10+
InChIKeyKQWAQLJXIXALTL-ZHACJKMWSA-N
MW215.31 g/mol
LogP2.75
Rot. Bonds4

About 4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine

4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine (PubChem CID 155178039) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine.

Molecular Properties

Compound Name4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine
PubChem CID155178039
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine
SMILESCC/C(F)=C\C(C)(CC)N1CCOCC1
InChIInChI=1S/C12H22FNO/c1-4-11(13)10-12(3,5-2)14-6-8-15-9-7-14/h10H,4-9H2,1-3H3/b11-10+
InChIKeyKQWAQLJXIXALTL-ZHACJKMWSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2E)-2,5-dimethylhexa-2,5-dienyl]morpholine
CID 12485223
4-[(E)-3-fluoro-2-methylhex-3-enyl]morpholine
CID 155177842
6-Fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine
CID 162439986
4-[(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 167101631
4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine
CID 11673016
N-(dimethyl-2,7-octadienyl)morpholine
CID 129763821
N-(dimethyl-2,7-octadienyl)-N-methyl-morpholinium iodide
CID 129763884
4-(4-Methylhex-2-en-1-yl)morpholine
CID 129766575
4-[(2e)-4-Methylhex-2-en-1-yl]morpholine
CID 129766711
4-[(2z)-4-Methylhex-2-en-1-yl]morpholine
CID 129766766
4-(3,5-Dimethylhex-4-enyl)morpholine
CID 15370630
4-[(2Z)-3,7-dimethylocta-2,6-dienyl]morpholine
CID 101429376

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine?
The IUPAC name of 4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine (CID 155178039) is 4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine.
What is the SMILES notation for 4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine?
The canonical SMILES for 4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine is CC/C(F)=C\C(C)(CC)N1CCOCC1.
What is the InChIKey of 4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine?
The InChIKey is KQWAQLJXIXALTL-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H22FNO/c1-4-11(13)10-12(3,5-2)14-6-8-15-9-7-14/h10H,4-9H2,1-3H3/b11-10+.
What are the key properties of 4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine?
4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine has a molecular weight of 215.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine is sourced from PubChem (CID 155178039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).