7-fluorocyclohepta-1,3,5-triene

C7H7F — CID 14741207

IUPAC7-fluorocyclohepta-1,3,5-triene
SMILESFC1C=CC=CC=C1
InChIInChI=1S/C7H7F/c8-7-5-3-1-2-4-6-7/h1-7H
InChIKeyHMIWGRWTCYARKE-UHFFFAOYSA-N
MW110.13 g/mol
LogP2.01
Rot. Bonds

About 7-fluorocyclohepta-1,3,5-triene

7-fluorocyclohepta-1,3,5-triene (PubChem CID 14741207) has the molecular formula C7H7F and a molecular weight of 110.13 g/mol. Its IUPAC name is 7-fluorocyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-fluorocyclohepta-1,3,5-triene
PubChem CID14741207
Molecular FormulaC7H7F
Molecular Weight110.13 g/mol
Exact Mass110.05
IUPAC Name7-fluorocyclohepta-1,3,5-triene
SMILESFC1C=CC=CC=C1
InChIInChI=1S/C7H7F/c8-7-5-3-1-2-4-6-7/h1-7H
InChIKeyHMIWGRWTCYARKE-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-fluorocyclohepta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cycloheptatriene
CID 11000
Fluorcycloheptatrien
CID 123570484
5-Fluorocyclohexa-1,3-diene
CID 13594374
5-Fluorocyclopenta-1,3-diene
CID 13759162
1-Fluorocyclohexa-1,3-diene
CID 21439206
Trifluoroethylvinylethen
CID 129821823
3-Fluorocyclohepta-1,3,5-triene
CID 71407610
2-Fluorocyclohepta-1,3,5-triene
CID 91153884
7-Deuteriocyclo-heptatriene
CID 101344731
d1-Cycloheptatriene
CID 129667548
Cycloheptatrienyl radical
CID 137975
1-Fluorocyclopenta-1,3-diene
CID 14743558

Frequently Asked Questions

What is the IUPAC name of 7-fluorocyclohepta-1,3,5-triene?
The IUPAC name of 7-fluorocyclohepta-1,3,5-triene (CID 14741207) is 7-fluorocyclohepta-1,3,5-triene.
What is the SMILES notation for 7-fluorocyclohepta-1,3,5-triene?
The canonical SMILES for 7-fluorocyclohepta-1,3,5-triene is FC1C=CC=CC=C1.
What is the InChIKey of 7-fluorocyclohepta-1,3,5-triene?
The InChIKey is HMIWGRWTCYARKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F/c8-7-5-3-1-2-4-6-7/h1-7H.
What are the key properties of 7-fluorocyclohepta-1,3,5-triene?
7-fluorocyclohepta-1,3,5-triene has a molecular weight of 110.13 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorocyclohepta-1,3,5-triene is sourced from PubChem (CID 14741207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).