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

C8H11FO — CID 89270544

IUPAC2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1C=CC(F)=CC1
InChIInChI=1S/C8H11FO/c1-10-6-7-2-4-8(9)5-3-7/h2,4-5,7H,3,6H2,1H3
InChIKeyBXZNFQQDBMWLSL-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.06
Rot. Bonds2

About 2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene

2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene (PubChem CID 89270544) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene
PubChem CID89270544
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1C=CC(F)=CC1
InChIInChI=1S/C8H11FO/c1-10-6-7-2-4-8(9)5-3-7/h2,4-5,7H,3,6H2,1H3
InChIKeyBXZNFQQDBMWLSL-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-Methoxyethyl)cyclopenta-1,3-diene
CID 12159223
(5R)-2-fluoro-1-methoxy-5-methylcyclohexa-1,3-diene
CID 66580607
3-Fluoro-1-methoxy-6-methylcyclohexa-1,3-diene
CID 70225784
2-Fluoro-5-(2-methoxyethyl)cyclohexa-1,3-diene
CID 70336639
5-(1-Fluoro-2-methoxyethyl)cyclohexa-1,3-diene
CID 70336641
1-Fluoro-6-(2-methoxyethyl)cyclohexa-1,3-diene
CID 70336647
1,5-Difluoro-6-(methoxymethyl)cyclohexa-1,3-diene
CID 89099264
5-(Methoxymethyl)-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 89270545
5-Fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
CID 89313764
5-Fluoro-2-(3-methoxypropyl)cyclohexa-1,3-diene
CID 89703648
1,3-Difluoro-5-(methoxymethyl)-6-methylcyclohexa-1,3-diene
CID 89951641
5-(Trifluoromethoxymethyl)hepta-1,3-diene
CID 123311257

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene (CID 89270544) is 2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene is COCC1C=CC(F)=CC1.
What is the InChIKey of 2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene?
The InChIKey is BXZNFQQDBMWLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-10-6-7-2-4-8(9)5-3-7/h2,4-5,7H,3,6H2,1H3.
What are the key properties of 2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene?
2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene has a molecular weight of 142.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(methoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 89270544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).