1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene

C18H22F2 — CID 22915776

IUPAC1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
SMILESCC/C=C/C=C/C1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H22F2/c1-2-3-4-5-6-14-7-9-15(10-8-14)16-11-12-17(19)18(20)13-16/h3-6,11-15H,2,7-10H2,1H3/b4-3+,6-5+
InChIKeyUTJHEYJBWJTTCW-VNKDHWASSA-N
MW276.37 g/mol
LogP5.76
Rot. Bonds4

About 1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene

1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene (PubChem CID 22915776) has the molecular formula C18H22F2 and a molecular weight of 276.37 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
PubChem CID22915776
Molecular FormulaC18H22F2
Molecular Weight276.37 g/mol
Exact Mass276.17
IUPAC Name1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
SMILESCC/C=C/C=C/C1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H22F2/c1-2-3-4-5-6-14-7-9-15(10-8-14)16-11-12-17(19)18(20)13-16/h3-6,11-15H,2,7-10H2,1H3/b4-3+,6-5+
InChIKeyUTJHEYJBWJTTCW-VNKDHWASSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.37
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
CID 19967704
1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene
CID 54500656
1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 19779944
4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene
CID 19695568
1,2-difluoro-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]benzene
CID 54158717
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
2-[4-(3,4-difluorophenyl)cyclohexyl]-5-pent-1-enyl-1,3-dioxane
CID 54191136
1,2-difluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695333
4-[4-[(E)-but-1-enyl]cyclohexyl]-1-[4-[4-(difluoromethyl)cyclohexyl]cyclohexyl]-2-fluorobenzene
CID 70797561
1-(3,4-difluorophenyl)-4-(4-ethylcyclohexyl)cycloheptane
CID 130256431
2-fluoro-4-[4-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 22915757
4-cyclopropyl-1,2-difluorobenzene;ethyl formate
CID 145194546

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene (CID 22915776) is 1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene is CC/C=C/C=C/C1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene?
The InChIKey is UTJHEYJBWJTTCW-VNKDHWASSA-N. The full InChI is InChI=1S/C18H22F2/c1-2-3-4-5-6-14-7-9-15(10-8-14)16-11-12-17(19)18(20)13-16/h3-6,11-15H,2,7-10H2,1H3/b4-3+,6-5+.
What are the key properties of 1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene?
1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene has a molecular weight of 276.37 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene is sourced from PubChem (CID 22915776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).