4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene

C20H26F2 — CID 174900948

IUPAC4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene
SMILESFc1ccc(C=C(C2CCCCC2)C2CCCCC2)cc1F
InChIInChI=1S/C20H26F2/c21-19-12-11-15(14-20(19)22)13-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17H,1-10H2
InChIKeyLLABGAZDQBJHNC-UHFFFAOYSA-N
MW304.42 g/mol
LogP6.51
Rot. Bonds3

About 4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene

4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene (PubChem CID 174900948) has the molecular formula C20H26F2 and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene
PubChem CID174900948
Molecular FormulaC20H26F2
Molecular Weight304.42 g/mol
Exact Mass304.20
IUPAC Name4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene
SMILESFc1ccc(C=C(C2CCCCC2)C2CCCCC2)cc1F
InChIInChI=1S/C20H26F2/c21-19-12-11-15(14-20(19)22)13-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17H,1-10H2
InChIKeyLLABGAZDQBJHNC-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene?
The IUPAC name of 4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene (CID 174900948) is 4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene?
The canonical SMILES for 4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene is Fc1ccc(C=C(C2CCCCC2)C2CCCCC2)cc1F.
What is the InChIKey of 4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene?
The InChIKey is LLABGAZDQBJHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2/c21-19-12-11-15(14-20(19)22)13-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17H,1-10H2.
What are the key properties of 4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene?
4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene has a molecular weight of 304.42 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene is sourced from PubChem (CID 174900948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).