1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane

C19H33F — CID 54464983

IUPAC1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C=CCCF)CC2)CC1
InChIInChI=1S/C19H33F/c1-2-5-16-7-11-18(12-8-16)19-13-9-17(10-14-19)6-3-4-15-20/h3,6,16-19H,2,4-5,7-15H2,1H3
InChIKeyXEEWRACBQAYHSB-UHFFFAOYSA-N
MW280.47 g/mol
LogP6.32
Rot. Bonds6

About 1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane

1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 54464983) has the molecular formula C19H33F and a molecular weight of 280.47 g/mol. Its IUPAC name is 1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID54464983
Molecular FormulaC19H33F
Molecular Weight280.47 g/mol
Exact Mass280.26
IUPAC Name1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C=CCCF)CC2)CC1
InChIInChI=1S/C19H33F/c1-2-5-16-7-11-18(12-8-16)19-13-9-17(10-14-19)6-3-4-15-20/h3,6,16-19H,2,4-5,7-15H2,1H3
InChIKeyXEEWRACBQAYHSB-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.47
LogP ≤ 56.32
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

1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
CID 19695446
1-but-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexane
CID 54450676
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54321216
4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 19695524
1-heptyl-4-[4-[(E)-5,5,5-trifluoropent-1-enyl]cyclohexyl]cyclohexane
CID 139983585
1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane
CID 22915763
2-chloro-1,3-difluoro-5-[2-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 19695462
1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane
CID 54480516

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane (CID 54464983) is 1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(C=CCCF)CC2)CC1.
What is the InChIKey of 1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is XEEWRACBQAYHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F/c1-2-5-16-7-11-18(12-8-16)19-13-9-17(10-14-19)6-3-4-15-20/h3,6,16-19H,2,4-5,7-15H2,1H3.
What are the key properties of 1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane?
1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 280.47 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 54464983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).