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

C12H10F2 — CID 21252411

IUPAC5,5-difluoro-1-phenylcyclohexa-1,3-diene
SMILESFC1(F)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C12H10F2/c13-12(14)8-4-7-11(9-12)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyMANOUGHWBMEQJU-UHFFFAOYSA-N
MW192.21 g/mol
LogP3.67
Rot. Bonds1

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

5,5-difluoro-1-phenylcyclohexa-1,3-diene (PubChem CID 21252411) has the molecular formula C12H10F2 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5,5-difluoro-1-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5-difluoro-1-phenylcyclohexa-1,3-diene
PubChem CID21252411
Molecular FormulaC12H10F2
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5,5-difluoro-1-phenylcyclohexa-1,3-diene
SMILESFC1(F)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C12H10F2/c13-12(14)8-4-7-11(9-12)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyMANOUGHWBMEQJU-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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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
P-Xylene
CID 7809
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Propylbenzene
CID 7668

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-phenylcyclohexa-1,3-diene?
The IUPAC name of 5,5-difluoro-1-phenylcyclohexa-1,3-diene (CID 21252411) is 5,5-difluoro-1-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 5,5-difluoro-1-phenylcyclohexa-1,3-diene?
The canonical SMILES for 5,5-difluoro-1-phenylcyclohexa-1,3-diene is FC1(F)C=CC=C(c2ccccc2)C1.
What is the InChIKey of 5,5-difluoro-1-phenylcyclohexa-1,3-diene?
The InChIKey is MANOUGHWBMEQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2/c13-12(14)8-4-7-11(9-12)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 5,5-difluoro-1-phenylcyclohexa-1,3-diene?
5,5-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 5,5-difluoro-1-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 21252411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).