1,3-difluorocyclopenta-1,3-diene

C5H4F2 — CID 18520950

IUPAC1,3-difluorocyclopenta-1,3-diene
SMILESFC1=CCC(F)=C1
InChIInChI=1S/C5H4F2/c6-4-1-2-5(7)3-4/h1,3H,2H2
InChIKeyBHKACAFCQMMVDU-UHFFFAOYSA-N
MW102.08 g/mol
LogP2.10
Rot. Bonds

About 1,3-difluorocyclopenta-1,3-diene

1,3-difluorocyclopenta-1,3-diene (PubChem CID 18520950) has the molecular formula C5H4F2 and a molecular weight of 102.08 g/mol. Its IUPAC name is 1,3-difluorocyclopenta-1,3-diene.

Molecular Properties

Compound Name1,3-difluorocyclopenta-1,3-diene
PubChem CID18520950
Molecular FormulaC5H4F2
Molecular Weight102.08 g/mol
Exact Mass102.03
IUPAC Name1,3-difluorocyclopenta-1,3-diene
SMILESFC1=CCC(F)=C1
InChIInChI=1S/C5H4F2/c6-4-1-2-5(7)3-4/h1,3H,2H2
InChIKeyBHKACAFCQMMVDU-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.08
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluorocyclopenta-1,3-diene?
The IUPAC name of 1,3-difluorocyclopenta-1,3-diene (CID 18520950) is 1,3-difluorocyclopenta-1,3-diene.
What is the SMILES notation for 1,3-difluorocyclopenta-1,3-diene?
The canonical SMILES for 1,3-difluorocyclopenta-1,3-diene is FC1=CCC(F)=C1.
What is the InChIKey of 1,3-difluorocyclopenta-1,3-diene?
The InChIKey is BHKACAFCQMMVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2/c6-4-1-2-5(7)3-4/h1,3H,2H2.
What are the key properties of 1,3-difluorocyclopenta-1,3-diene?
1,3-difluorocyclopenta-1,3-diene has a molecular weight of 102.08 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorocyclopenta-1,3-diene is sourced from PubChem (CID 18520950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).