4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene

C20H26F2 — CID 146626064

IUPAC4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene
SMILESCCC1CCC(/C(C)=C/C=C(\C)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H26F2/c1-4-16-7-9-17(10-8-16)14(2)5-6-15(3)18-11-12-19(21)20(22)13-18/h5-6,11-13,16-17H,4,7-10H2,1-3H3/b14-5+,15-6+
InChIKeyAEDORYKZQHMZCX-PWSZKDBUSA-N
MW304.42 g/mol
LogP6.53
Rot. Bonds4

About 4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene

4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene (PubChem CID 146626064) has the molecular formula C20H26F2 and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene
PubChem CID146626064
Molecular FormulaC20H26F2
Molecular Weight304.42 g/mol
Exact Mass304.20
IUPAC Name4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene
SMILESCCC1CCC(/C(C)=C/C=C(\C)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H26F2/c1-4-16-7-9-17(10-8-16)14(2)5-6-15(3)18-11-12-19(21)20(22)13-18/h5-6,11-13,16-17H,4,7-10H2,1-3H3/b14-5+,15-6+
InChIKeyAEDORYKZQHMZCX-PWSZKDBUSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene?
The IUPAC name of 4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene (CID 146626064) is 4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene?
The canonical SMILES for 4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene is CCC1CCC(/C(C)=C/C=C(\C)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene?
The InChIKey is AEDORYKZQHMZCX-PWSZKDBUSA-N. The full InChI is InChI=1S/C20H26F2/c1-4-16-7-9-17(10-8-16)14(2)5-6-15(3)18-11-12-19(21)20(22)13-18/h5-6,11-13,16-17H,4,7-10H2,1-3H3/b14-5+,15-6+.
What are the key properties of 4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene?
4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene has a molecular weight of 304.42 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-5-(4-ethylcyclohexyl)hexa-2,4-dien-2-yl]-1,2-difluorobenzene is sourced from PubChem (CID 146626064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).