5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene

C8H11FO — CID 142855275

IUPAC5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1C=CC=CC1F
InChIInChI=1S/C8H11FO/c1-10-6-7-4-2-3-5-8(7)9/h2-5,7-8H,6H2,1H3
InChIKeyGLECLYHUVKDWCM-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.71
Rot. Bonds2

About 5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene

5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene (PubChem CID 142855275) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene
PubChem CID142855275
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1C=CC=CC1F
InChIInChI=1S/C8H11FO/c1-10-6-7-4-2-3-5-8(7)9/h2-5,7-8H,6H2,1H3
InChIKeyGLECLYHUVKDWCM-UHFFFAOYSA-N
XLogP1.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6-fluorocyclohexa-2,4-dien-1-yl)methanol
CID 123160628
1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene
CID 89099264
5,6-diethylcyclohexa-1,3-diene
CID 556515
(3R,4R,5S,6R)-5-fluoro-4-methoxy-3-(methoxymethyl)-6-methylcyclohexene
CID 58349936
9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene
CID 101038950
[(1S,6R)-6-(methoxycarbonyloxymethyl)cyclohexa-2,4-dien-1-yl]methyl methyl carbonate
CID 102174480
(6-methoxycyclohexa-2,4-dien-1-yl)methanol
CID 146644669
(1S,2S,5R,6S)-2-ethyl-5,6-bis(methoxymethyl)cyclohex-3-en-1-ol
CID 10536602
2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine
CID 118124509
(1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane
CID 163447568
(1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol
CID 101241984
bicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane
CID 86613232

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene (CID 142855275) is 5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene is COCC1C=CC=CC1F.
What is the InChIKey of 5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene?
The InChIKey is GLECLYHUVKDWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-10-6-7-4-2-3-5-8(7)9/h2-5,7-8H,6H2,1H3.
What are the key properties of 5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene?
5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene has a molecular weight of 142.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 142855275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).