1-fluorocyclohepta-1,3,5-triene

C7H7F — CID 123570484

IUPAC1-fluorocyclohepta-1,3,5-triene
SMILESFC1=CC=CC=CC1
InChIInChI=1S/C7H7F/c8-7-5-3-1-2-4-6-7/h1-5H,6H2
InChIKeyRQOWKVBQZTZJGC-UHFFFAOYSA-N
MW110.13 g/mol
LogP2.36
Rot. Bonds

About 1-fluorocyclohepta-1,3,5-triene

1-fluorocyclohepta-1,3,5-triene (PubChem CID 123570484) has the molecular formula C7H7F and a molecular weight of 110.13 g/mol. Its IUPAC name is 1-fluorocyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1-fluorocyclohepta-1,3,5-triene
PubChem CID123570484
Molecular FormulaC7H7F
Molecular Weight110.13 g/mol
Exact Mass110.05
IUPAC Name1-fluorocyclohepta-1,3,5-triene
SMILESFC1=CC=CC=CC1
InChIInChI=1S/C7H7F/c8-7-5-3-1-2-4-6-7/h1-5H,6H2
InChIKeyRQOWKVBQZTZJGC-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluorocyclohepta-1,3,5-triene?
The IUPAC name of 1-fluorocyclohepta-1,3,5-triene (CID 123570484) is 1-fluorocyclohepta-1,3,5-triene.
What is the SMILES notation for 1-fluorocyclohepta-1,3,5-triene?
The canonical SMILES for 1-fluorocyclohepta-1,3,5-triene is FC1=CC=CC=CC1.
What is the InChIKey of 1-fluorocyclohepta-1,3,5-triene?
The InChIKey is RQOWKVBQZTZJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F/c8-7-5-3-1-2-4-6-7/h1-5H,6H2.
What are the key properties of 1-fluorocyclohepta-1,3,5-triene?
1-fluorocyclohepta-1,3,5-triene has a molecular weight of 110.13 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclohepta-1,3,5-triene is sourced from PubChem (CID 123570484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).