1,4-difluorocyclohepta-1,3,5-triene

C7H6F2 — CID 143120716

IUPAC1,4-difluorocyclohepta-1,3,5-triene
SMILESFC1=CC=C(F)CC=C1
InChIInChI=1S/C7H6F2/c8-6-2-1-3-7(9)5-4-6/h1-2,4-5H,3H2
InChIKeyVGEDEFKDPAMSKB-UHFFFAOYSA-N
MW128.12 g/mol
LogP2.65
Rot. Bonds

About 1,4-difluorocyclohepta-1,3,5-triene

1,4-difluorocyclohepta-1,3,5-triene (PubChem CID 143120716) has the molecular formula C7H6F2 and a molecular weight of 128.12 g/mol. Its IUPAC name is 1,4-difluorocyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1,4-difluorocyclohepta-1,3,5-triene
PubChem CID143120716
Molecular FormulaC7H6F2
Molecular Weight128.12 g/mol
Exact Mass128.04
IUPAC Name1,4-difluorocyclohepta-1,3,5-triene
SMILESFC1=CC=C(F)CC=C1
InChIInChI=1S/C7H6F2/c8-6-2-1-3-7(9)5-4-6/h1-2,4-5H,3H2
InChIKeyVGEDEFKDPAMSKB-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.12
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluorocyclohepta-1,3,5-triene?
The IUPAC name of 1,4-difluorocyclohepta-1,3,5-triene (CID 143120716) is 1,4-difluorocyclohepta-1,3,5-triene.
What is the SMILES notation for 1,4-difluorocyclohepta-1,3,5-triene?
The canonical SMILES for 1,4-difluorocyclohepta-1,3,5-triene is FC1=CC=C(F)CC=C1.
What is the InChIKey of 1,4-difluorocyclohepta-1,3,5-triene?
The InChIKey is VGEDEFKDPAMSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2/c8-6-2-1-3-7(9)5-4-6/h1-2,4-5H,3H2.
What are the key properties of 1,4-difluorocyclohepta-1,3,5-triene?
1,4-difluorocyclohepta-1,3,5-triene has a molecular weight of 128.12 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorocyclohepta-1,3,5-triene is sourced from PubChem (CID 143120716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).