[(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane

C14H21FO — CID 134465870

IUPAC[(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane
SMILESC=C/C(F)=C(\C=C(/C)OC)C1CCCCC1
InChIInChI=1S/C14H21FO/c1-4-14(15)13(10-11(2)16-3)12-8-6-5-7-9-12/h4,10,12H,1,5-9H2,2-3H3/b11-10+,14-13-
InChIKeyQYBAXVBGDQCLLK-SVEAWWMOSA-N
MW224.32 g/mol
LogP4.53
Rot. Bonds4

About [(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane

[(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane (PubChem CID 134465870) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is [(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane.

Molecular Properties

Compound Name[(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane
PubChem CID134465870
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name[(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane
SMILESC=C/C(F)=C(\C=C(/C)OC)C1CCCCC1
InChIInChI=1S/C14H21FO/c1-4-14(15)13(10-11(2)16-3)12-8-6-5-7-9-12/h4,10,12H,1,5-9H2,2-3H3/b11-10+,14-13-
InChIKeyQYBAXVBGDQCLLK-SVEAWWMOSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene
CID 70866784
1-butyl-4-[(3Z,5E)-6-ethoxy-2,7-difluorohepta-1,3,5-trien-3-yl]cyclohexane
CID 134375159
5-[(3E,6Z,8E,9E)-9-ethyl-8-ethylidene-1-fluoro-10-methoxy-2,6-dimethylundeca-3,6,9-trien-4-yl]-1-methylcyclohexa-1,3-diene
CID 135295017
1-fluoro-1-[(3E,5E,7Z,9E)-4-[(2Z,5E)-6-methoxy-2-methyl-4-methylidene-5-prop-1-en-2-ylhepta-2,5-dienyl]-5,8-dimethylundeca-3,5,7,9-tetraenyl]cyclohexane
CID 135295130
5-(4-Ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
CID 143612329
(1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane
CID 145151759
ethane;1-(5-methylhexan-2-yl)-4-[(3E,5E)-6-(trifluoromethoxy)hepta-1,3,5-trien-3-yl]cyclohexane
CID 145678675
2,3-Difluoro-1-methoxy-4-(5-methylhept-6-en-2-yl)cyclohexa-1,3-diene
CID 153580594
[(1Z,3E)-4-fluoro-2-methoxyhepta-1,3,5,6-tetraenyl]cyclohexane
CID 141933667
1-[(1E,3E)-2-ethenyl-4-methoxy-3-propan-2-ylpenta-1,3-dienyl]-5-[(1-fluorocyclohexyl)methyl]-2,3-dimethylcyclohexa-1,3-diene
CID 144710110
5-ethyl-4-fluoro-1-[(3Z,5Z)-4-methoxyhepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene
CID 145014074
1-(5-methylhexan-2-yl)-4-[(3E,5E)-6-(trifluoromethoxy)hepta-1,3,5-trien-3-yl]cyclohexane
CID 145678676

Frequently Asked Questions

What is the IUPAC name of [(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane?
The IUPAC name of [(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane (CID 134465870) is [(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane.
What is the SMILES notation for [(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane?
The canonical SMILES for [(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane is C=C/C(F)=C(\C=C(/C)OC)C1CCCCC1.
What is the InChIKey of [(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane?
The InChIKey is QYBAXVBGDQCLLK-SVEAWWMOSA-N. The full InChI is InChI=1S/C14H21FO/c1-4-14(15)13(10-11(2)16-3)12-8-6-5-7-9-12/h4,10,12H,1,5-9H2,2-3H3/b11-10+,14-13-.
What are the key properties of [(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane?
[(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane has a molecular weight of 224.32 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane is sourced from PubChem (CID 134465870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).