5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene

C13H10F2 — CID 159451607

IUPAC5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene
SMILESFC(F)=C1C=CC(c2ccccc2)=CC1
InChIInChI=1S/C13H10F2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyLTLISUUSVZJXBF-UHFFFAOYSA-N
MW204.22 g/mol
LogP4.18
Rot. Bonds1

About 5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene

5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene (PubChem CID 159451607) has the molecular formula C13H10F2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene
PubChem CID159451607
Molecular FormulaC13H10F2
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene
SMILESFC(F)=C1C=CC(c2ccccc2)=CC1
InChIInChI=1S/C13H10F2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyLTLISUUSVZJXBF-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene?
The IUPAC name of 5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene (CID 159451607) is 5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene?
The canonical SMILES for 5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene is FC(F)=C1C=CC(c2ccccc2)=CC1.
What is the InChIKey of 5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene?
The InChIKey is LTLISUUSVZJXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene?
5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene has a molecular weight of 204.22 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylidene)-2-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 159451607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).