3,5-difluoro-1-phenylcyclohexa-1,3-diene

C12H10F2 — CID 66693994

IUPAC3,5-difluoro-1-phenylcyclohexa-1,3-diene
SMILESFC1=CC(F)CC(c2ccccc2)=C1
InChIInChI=1S/C12H10F2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-6,8,12H,7H2
InChIKeyXZGTZONLYVGOEY-UHFFFAOYSA-N
MW192.21 g/mol
LogP3.67
Rot. Bonds1

About 3,5-difluoro-1-phenylcyclohexa-1,3-diene

3,5-difluoro-1-phenylcyclohexa-1,3-diene (PubChem CID 66693994) has the molecular formula C12H10F2 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3,5-difluoro-1-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3,5-difluoro-1-phenylcyclohexa-1,3-diene
PubChem CID66693994
Molecular FormulaC12H10F2
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3,5-difluoro-1-phenylcyclohexa-1,3-diene
SMILESFC1=CC(F)CC(c2ccccc2)=C1
InChIInChI=1S/C12H10F2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-6,8,12H,7H2
InChIKeyXZGTZONLYVGOEY-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-phenylcyclohexa-1,3-diene?
The IUPAC name of 3,5-difluoro-1-phenylcyclohexa-1,3-diene (CID 66693994) is 3,5-difluoro-1-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 3,5-difluoro-1-phenylcyclohexa-1,3-diene?
The canonical SMILES for 3,5-difluoro-1-phenylcyclohexa-1,3-diene is FC1=CC(F)CC(c2ccccc2)=C1.
What is the InChIKey of 3,5-difluoro-1-phenylcyclohexa-1,3-diene?
The InChIKey is XZGTZONLYVGOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-6,8,12H,7H2.
What are the key properties of 3,5-difluoro-1-phenylcyclohexa-1,3-diene?
3,5-difluoro-1-phenylcyclohexa-1,3-diene has a molecular weight of 192.21 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 66693994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).