1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene

C16H20F2 — CID 19798819

IUPAC1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
SMILESF/C=C/CCC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H20F2/c17-12-2-1-3-13-4-6-14(7-5-13)15-8-10-16(18)11-9-15/h2,8-14H,1,3-7H2/b12-2+
InChIKeySBXWSKNURTVMOZ-SWGQDTFXSA-N
MW250.33 g/mol
LogP5.36
Rot. Bonds4

About 1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene

1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene (PubChem CID 19798819) has the molecular formula C16H20F2 and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
PubChem CID19798819
Molecular FormulaC16H20F2
Molecular Weight250.33 g/mol
Exact Mass250.15
IUPAC Name1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
SMILESF/C=C/CCC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H20F2/c17-12-2-1-3-13-4-6-14(7-5-13)15-8-10-16(18)11-9-15/h2,8-14H,1,3-7H2/b12-2+
InChIKeySBXWSKNURTVMOZ-SWGQDTFXSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.33
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene
CID 19780950
1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene
CID 19781034
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene
CID 57159621
(2E,4E)-7-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613894
1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene
CID 19780975
1-[4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 19798733
1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 19798695
1,2-difluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzene
CID 54546268
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene
CID 54333398
1,2-difluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]phenyl]benzene
CID 19798704

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene?
The IUPAC name of 1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene (CID 19798819) is 1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene is F/C=C/CCC1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene?
The InChIKey is SBXWSKNURTVMOZ-SWGQDTFXSA-N. The full InChI is InChI=1S/C16H20F2/c17-12-2-1-3-13-4-6-14(7-5-13)15-8-10-16(18)11-9-15/h2,8-14H,1,3-7H2/b12-2+.
What are the key properties of 1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene?
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene has a molecular weight of 250.33 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene is sourced from PubChem (CID 19798819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).