5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene

C15H19FO — CID 70961035

IUPAC5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene
SMILESCOCC1=C(F)CC(C2=CC=CCC2)C(C)=C1
InChIInChI=1S/C15H19FO/c1-11-8-13(10-17-2)15(16)9-14(11)12-6-4-3-5-7-12/h3-4,6,8,14H,5,7,9-10H2,1-2H3
InChIKeyDMIZBXQCCMHCQR-UHFFFAOYSA-N
MW234.31 g/mol
LogP4.10
Rot. Bonds3

About 5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene

5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene (PubChem CID 70961035) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene
PubChem CID70961035
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene
SMILESCOCC1=C(F)CC(C2=CC=CCC2)C(C)=C1
InChIInChI=1S/C15H19FO/c1-11-8-13(10-17-2)15(16)9-14(11)12-6-4-3-5-7-12/h3-4,6,8,14H,5,7,9-10H2,1-2H3
InChIKeyDMIZBXQCCMHCQR-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene (CID 70961035) is 5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene is COCC1=C(F)CC(C2=CC=CCC2)C(C)=C1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene?
The InChIKey is DMIZBXQCCMHCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-11-8-13(10-17-2)15(16)9-14(11)12-6-4-3-5-7-12/h3-4,6,8,14H,5,7,9-10H2,1-2H3.
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene?
5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene has a molecular weight of 234.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene is sourced from PubChem (CID 70961035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).