5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene

C14H12F2 — CID 87057597

IUPAC5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene
SMILESFC1C=CC=CC1(F)/C=C/c1ccccc1
InChIInChI=1S/C14H12F2/c15-13-8-4-5-10-14(13,16)11-9-12-6-2-1-3-7-12/h1-11,13H/b11-9+
InChIKeyLQCXKOPULQUBHE-PKNBQFBNSA-N
MW218.25 g/mol
LogP3.87
Rot. Bonds2

About 5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene

5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene (PubChem CID 87057597) has the molecular formula C14H12F2 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene
PubChem CID87057597
Molecular FormulaC14H12F2
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene
SMILESFC1C=CC=CC1(F)/C=C/c1ccccc1
InChIInChI=1S/C14H12F2/c15-13-8-4-5-10-14(13,16)11-9-12-6-2-1-3-7-12/h1-11,13H/b11-9+
InChIKeyLQCXKOPULQUBHE-PKNBQFBNSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-phenylethenyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 154106781
5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene
CID 87781266
1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine
CID 154732515
2-[6-cyano-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-yl]benzonitrile
CID 141012983
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-phenyl-6-(trifluoromethylsulfanyl)cyclohexa-2,4-dien-1-amine
CID 70082177
1-[(E)-2-phenylethenyl]cyclopropan-1-ol
CID 15686065
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene?
The IUPAC name of 5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene (CID 87057597) is 5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene?
The canonical SMILES for 5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene is FC1C=CC=CC1(F)/C=C/c1ccccc1.
What is the InChIKey of 5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene?
The InChIKey is LQCXKOPULQUBHE-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H12F2/c15-13-8-4-5-10-14(13,16)11-9-12-6-2-1-3-7-12/h1-11,13H/b11-9+.
What are the key properties of 5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene?
5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene has a molecular weight of 218.25 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene is sourced from PubChem (CID 87057597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).