1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene

C19H27F — CID 54484505

IUPAC1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(CCC=CF)CC2)cc1
InChIInChI=1S/C19H27F/c1-2-5-16-7-11-18(12-8-16)19-13-9-17(10-14-19)6-3-4-15-20/h4,7-8,11-12,15,17,19H,2-3,5-6,9-10,13-14H2,1H3
InChIKeyXRIXNPXOJSEDBT-UHFFFAOYSA-N
MW274.42 g/mol
LogP6.18
Rot. Bonds6

About 1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene

1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene (PubChem CID 54484505) has the molecular formula C19H27F and a molecular weight of 274.42 g/mol. Its IUPAC name is 1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
PubChem CID54484505
Molecular FormulaC19H27F
Molecular Weight274.42 g/mol
Exact Mass274.21
IUPAC Name1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(CCC=CF)CC2)cc1
InChIInChI=1S/C19H27F/c1-2-5-16-7-11-18(12-8-16)19-13-9-17(10-14-19)6-3-4-15-20/h4,7-8,11-12,15,17,19H,2-3,5-6,9-10,13-14H2,1H3
InChIKeyXRIXNPXOJSEDBT-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.42
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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-(4-hexa-3,5-dienylcyclohexyl)-4-propylbenzene
CID 54018435
1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 57115523
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
CID 19798819
1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene
CID 19780975
5-[4-[[4-(4-propylphenyl)cyclohexyl]methoxy]cyclohexyl]pent-2-enenitrile
CID 54133590
1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 19798745
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
(E)-5-[4-[1-[4-(4-propylphenyl)cyclohexyl]ethenyl]cyclohexyl]pent-2-enenitrile
CID 19612897
1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene
CID 57159621
1-(3-fluoroprop-2-enyl)-4-(4-hexylcyclohexyl)benzene
CID 54219103

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene?
The IUPAC name of 1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene (CID 54484505) is 1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene.
What is the SMILES notation for 1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene?
The canonical SMILES for 1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene is CCCc1ccc(C2CCC(CCC=CF)CC2)cc1.
What is the InChIKey of 1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene?
The InChIKey is XRIXNPXOJSEDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F/c1-2-5-16-7-11-18(12-8-16)19-13-9-17(10-14-19)6-3-4-15-20/h4,7-8,11-12,15,17,19H,2-3,5-6,9-10,13-14H2,1H3.
What are the key properties of 1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene?
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene has a molecular weight of 274.42 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene is sourced from PubChem (CID 54484505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).