5-(difluoromethylidene)cyclopenta-1,3-diene

C6H4F2 — CID 13428390

IUPAC5-(difluoromethylidene)cyclopenta-1,3-diene
SMILESFC(F)=C1C=CC=C1
InChIInChI=1S/C6H4F2/c7-6(8)5-3-1-2-4-5/h1-4H
InChIKeyROJOIYHXMXSEBG-UHFFFAOYSA-N
MW114.09 g/mol
LogP2.26
Rot. Bonds

About 5-(difluoromethylidene)cyclopenta-1,3-diene

5-(difluoromethylidene)cyclopenta-1,3-diene (PubChem CID 13428390) has the molecular formula C6H4F2 and a molecular weight of 114.09 g/mol. Its IUPAC name is 5-(difluoromethylidene)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(difluoromethylidene)cyclopenta-1,3-diene
PubChem CID13428390
Molecular FormulaC6H4F2
Molecular Weight114.09 g/mol
Exact Mass114.03
IUPAC Name5-(difluoromethylidene)cyclopenta-1,3-diene
SMILESFC(F)=C1C=CC=C1
InChIInChI=1S/C6H4F2/c7-6(8)5-3-1-2-4-5/h1-4H
InChIKeyROJOIYHXMXSEBG-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.09
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylidene)cyclopenta-1,3-diene?
The IUPAC name of 5-(difluoromethylidene)cyclopenta-1,3-diene (CID 13428390) is 5-(difluoromethylidene)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(difluoromethylidene)cyclopenta-1,3-diene?
The canonical SMILES for 5-(difluoromethylidene)cyclopenta-1,3-diene is FC(F)=C1C=CC=C1.
What is the InChIKey of 5-(difluoromethylidene)cyclopenta-1,3-diene?
The InChIKey is ROJOIYHXMXSEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2/c7-6(8)5-3-1-2-4-5/h1-4H.
What are the key properties of 5-(difluoromethylidene)cyclopenta-1,3-diene?
5-(difluoromethylidene)cyclopenta-1,3-diene has a molecular weight of 114.09 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylidene)cyclopenta-1,3-diene is sourced from PubChem (CID 13428390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).