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

C8H11FO — CID 163495633

IUPAC2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1=C(F)C=CCC1
InChIInChI=1S/C8H11FO/c1-10-6-7-4-2-3-5-8(7)9/h3,5H,2,4,6H2,1H3
InChIKeyCQKQDQZFRHDWGY-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.21
Rot. Bonds2

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

2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene (PubChem CID 163495633) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene
PubChem CID163495633
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1=C(F)C=CCC1
InChIInChI=1S/C8H11FO/c1-10-6-7-4-2-3-5-8(7)9/h3,5H,2,4,6H2,1H3
InChIKeyCQKQDQZFRHDWGY-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene (CID 163495633) is 2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene is COCC1=C(F)C=CCC1.
What is the InChIKey of 2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene?
The InChIKey is CQKQDQZFRHDWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-10-6-7-4-2-3-5-8(7)9/h3,5H,2,4,6H2,1H3.
What are the key properties of 2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene?
2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene has a molecular weight of 142.17 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 163495633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).