4,6-bis(fluoromethylidene)-1-phenylcyclohexene

C14H12F2 — CID 146319217

IUPAC4,6-bis(fluoromethylidene)-1-phenylcyclohexene
SMILESFC=C1CC=C(c2ccccc2)C(=CF)C1
InChIInChI=1S/C14H12F2/c15-9-11-6-7-14(13(8-11)10-16)12-4-2-1-3-5-12/h1-5,7,9-10H,6,8H2
InChIKeyZIRDRTBIUISSKO-UHFFFAOYSA-N
MW218.25 g/mol
LogP4.57
Rot. Bonds1

About 4,6-bis(fluoromethylidene)-1-phenylcyclohexene

4,6-bis(fluoromethylidene)-1-phenylcyclohexene (PubChem CID 146319217) has the molecular formula C14H12F2 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4,6-bis(fluoromethylidene)-1-phenylcyclohexene.

Molecular Properties

Compound Name4,6-bis(fluoromethylidene)-1-phenylcyclohexene
PubChem CID146319217
Molecular FormulaC14H12F2
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name4,6-bis(fluoromethylidene)-1-phenylcyclohexene
SMILESFC=C1CC=C(c2ccccc2)C(=CF)C1
InChIInChI=1S/C14H12F2/c15-9-11-6-7-14(13(8-11)10-16)12-4-2-1-3-5-12/h1-5,7,9-10H,6,8H2
InChIKeyZIRDRTBIUISSKO-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(fluoromethylidene)-1-phenylcyclohexene?
The IUPAC name of 4,6-bis(fluoromethylidene)-1-phenylcyclohexene (CID 146319217) is 4,6-bis(fluoromethylidene)-1-phenylcyclohexene.
What is the SMILES notation for 4,6-bis(fluoromethylidene)-1-phenylcyclohexene?
The canonical SMILES for 4,6-bis(fluoromethylidene)-1-phenylcyclohexene is FC=C1CC=C(c2ccccc2)C(=CF)C1.
What is the InChIKey of 4,6-bis(fluoromethylidene)-1-phenylcyclohexene?
The InChIKey is ZIRDRTBIUISSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2/c15-9-11-6-7-14(13(8-11)10-16)12-4-2-1-3-5-12/h1-5,7,9-10H,6,8H2.
What are the key properties of 4,6-bis(fluoromethylidene)-1-phenylcyclohexene?
4,6-bis(fluoromethylidene)-1-phenylcyclohexene has a molecular weight of 218.25 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(fluoromethylidene)-1-phenylcyclohexene is sourced from PubChem (CID 146319217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).