7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene

C14H13F — CID 139449371

IUPAC7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene
SMILESFC1=CC=CC(C2=CC=C2C2CC2)C=C1
InChIInChI=1S/C14H13F/c15-12-3-1-2-10(6-7-12)13-8-9-14(13)11-4-5-11/h1-3,6-11H,4-5H2
InChIKeyLBBWFGXGPNYQER-UHFFFAOYSA-N
MW200.26 g/mol
LogP3.86
Rot. Bonds2

About 7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene

7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene (PubChem CID 139449371) has the molecular formula C14H13F and a molecular weight of 200.26 g/mol. Its IUPAC name is 7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene
PubChem CID139449371
Molecular FormulaC14H13F
Molecular Weight200.26 g/mol
Exact Mass200.10
IUPAC Name7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene
SMILESFC1=CC=CC(C2=CC=C2C2CC2)C=C1
InChIInChI=1S/C14H13F/c15-12-3-1-2-10(6-7-12)13-8-9-14(13)11-4-5-11/h1-3,6-11H,4-5H2
InChIKeyLBBWFGXGPNYQER-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene?
The IUPAC name of 7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene (CID 139449371) is 7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene.
What is the SMILES notation for 7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene?
The canonical SMILES for 7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene is FC1=CC=CC(C2=CC=C2C2CC2)C=C1.
What is the InChIKey of 7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene?
The InChIKey is LBBWFGXGPNYQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F/c15-12-3-1-2-10(6-7-12)13-8-9-14(13)11-4-5-11/h1-3,6-11H,4-5H2.
What are the key properties of 7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene?
7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene has a molecular weight of 200.26 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene is sourced from PubChem (CID 139449371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).