4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene

C16H18F4 — CID 19695568

IUPAC4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene
SMILESFc1ccc(C2CCC(/C=C/CC(F)F)CC2)cc1F
InChIInChI=1S/C16H18F4/c17-14-9-8-13(10-15(14)18)12-6-4-11(5-7-12)2-1-3-16(19)20/h1-2,8-12,16H,3-7H2/b2-1+
InChIKeyXHVKUBKWNVWAGU-OWOJBTEDSA-N
MW286.31 g/mol
LogP5.45
Rot. Bonds4

About 4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene

4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene (PubChem CID 19695568) has the molecular formula C16H18F4 and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene
PubChem CID19695568
Molecular FormulaC16H18F4
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene
SMILESFc1ccc(C2CCC(/C=C/CC(F)F)CC2)cc1F
InChIInChI=1S/C16H18F4/c17-14-9-8-13(10-15(14)18)12-6-4-11(5-7-12)2-1-3-16(19)20/h1-2,8-12,16H,3-7H2/b2-1+
InChIKeyXHVKUBKWNVWAGU-OWOJBTEDSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.31
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4,4-difluorobut-1-enyl)cyclohexyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 54065273
5-[4-(4,4-difluorobut-1-enyl)cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 54047120
5-[4-(4,4-difluorobut-1-enyl)cyclohexyl]-2-(difluoromethoxy)-1,3-difluorobenzene
CID 54386201
1-bromo-4-[4-[4-(4,4-difluorobut-1-enyl)cyclohexyl]cyclohexyl]benzene
CID 54352238
1,2-difluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695333
1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 19779944
4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]benzonitrile
CID 18179288
1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
CID 22915776
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
1,2-difluoro-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]benzene
CID 54158717
4-cyclopropyl-1,2-difluorobenzene;formic acid
CID 144529056
1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19798866

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene (CID 19695568) is 4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene is Fc1ccc(C2CCC(/C=C/CC(F)F)CC2)cc1F.
What is the InChIKey of 4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene?
The InChIKey is XHVKUBKWNVWAGU-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H18F4/c17-14-9-8-13(10-15(14)18)12-6-4-11(5-7-12)2-1-3-16(19)20/h1-2,8-12,16H,3-7H2/b2-1+.
What are the key properties of 4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene?
4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene has a molecular weight of 286.31 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene is sourced from PubChem (CID 19695568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).