ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene

C10H15F — CID 145198191

IUPACethane;5-fluoro-1-methylcyclohepta-1,3,5-triene
SMILESCC.CC1=CC=CC(F)=CC1
InChIInChI=1S/C8H9F.C2H6/c1-7-3-2-4-8(9)6-5-7;1-2/h2-4,6H,5H2,1H3;1-2H3
InChIKeyJDINAKUHTHZWGG-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.77
Rot. Bonds

About ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene

ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene (PubChem CID 145198191) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;5-fluoro-1-methylcyclohepta-1,3,5-triene
PubChem CID145198191
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Nameethane;5-fluoro-1-methylcyclohepta-1,3,5-triene
SMILESCC.CC1=CC=CC(F)=CC1
InChIInChI=1S/C8H9F.C2H6/c1-7-3-2-4-8(9)6-5-7;1-2/h2-4,6H,5H2,1H3;1-2H3
InChIKeyJDINAKUHTHZWGG-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene?
The IUPAC name of ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene (CID 145198191) is ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene?
The canonical SMILES for ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene is CC.CC1=CC=CC(F)=CC1.
What is the InChIKey of ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene?
The InChIKey is JDINAKUHTHZWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C2H6/c1-7-3-2-4-8(9)6-5-7;1-2/h2-4,6H,5H2,1H3;1-2H3.
What are the key properties of ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene?
ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene has a molecular weight of 154.23 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 145198191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).