5,5-difluorocyclohexa-1,3-diene

C6H6F2 — CID 15178912

IUPAC5,5-difluorocyclohexa-1,3-diene
SMILESFC1(F)C=CC=CC1
InChIInChI=1S/C6H6F2/c7-6(8)4-2-1-3-5-6/h1-4H,5H2
InChIKeyUDEWPACGFVQRST-UHFFFAOYSA-N
MW116.11 g/mol
LogP2.14
Rot. Bonds

About 5,5-difluorocyclohexa-1,3-diene

5,5-difluorocyclohexa-1,3-diene (PubChem CID 15178912) has the molecular formula C6H6F2 and a molecular weight of 116.11 g/mol. Its IUPAC name is 5,5-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5-difluorocyclohexa-1,3-diene
PubChem CID15178912
Molecular FormulaC6H6F2
Molecular Weight116.11 g/mol
Exact Mass116.04
IUPAC Name5,5-difluorocyclohexa-1,3-diene
SMILESFC1(F)C=CC=CC1
InChIInChI=1S/C6H6F2/c7-6(8)4-2-1-3-5-6/h1-4H,5H2
InChIKeyUDEWPACGFVQRST-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.11
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluorocyclohexa-1,3-diene?
The IUPAC name of 5,5-difluorocyclohexa-1,3-diene (CID 15178912) is 5,5-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 5,5-difluorocyclohexa-1,3-diene?
The canonical SMILES for 5,5-difluorocyclohexa-1,3-diene is FC1(F)C=CC=CC1.
What is the InChIKey of 5,5-difluorocyclohexa-1,3-diene?
The InChIKey is UDEWPACGFVQRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2/c7-6(8)4-2-1-3-5-6/h1-4H,5H2.
What are the key properties of 5,5-difluorocyclohexa-1,3-diene?
5,5-difluorocyclohexa-1,3-diene has a molecular weight of 116.11 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 15178912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).