1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene

C21H31F — CID 19798745

IUPAC1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCC1CCC(CCc2ccc(CC/C=C/F)cc2)CC1
InChIInChI=1S/C21H31F/c1-2-5-18-7-11-20(12-8-18)15-16-21-13-9-19(10-14-21)6-3-4-17-22/h4,9-10,13-14,17-18,20H,2-3,5-8,11-12,15-16H2,1H3/b17-4+
InChIKeyFUYLQKCIRDJBNC-HAVNEIBRSA-N
MW302.48 g/mol
LogP6.64
Rot. Bonds8

About 1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene

1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene (PubChem CID 19798745) has the molecular formula C21H31F and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene
PubChem CID19798745
Molecular FormulaC21H31F
Molecular Weight302.48 g/mol
Exact Mass302.24
IUPAC Name1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCC1CCC(CCc2ccc(CC/C=C/F)cc2)CC1
InChIInChI=1S/C21H31F/c1-2-5-18-7-11-20(12-8-18)15-16-21-13-9-19(10-14-21)6-3-4-17-22/h4,9-10,13-14,17-18,20H,2-3,5-8,11-12,15-16H2,1H3/b17-4+
InChIKeyFUYLQKCIRDJBNC-HAVNEIBRSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.48
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861118
1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene
CID 19781025
4-[2-[4-[(E)-6-fluorohex-5-enyl]cyclohexyl]ethyl]benzonitrile
CID 19798829
1-[2-(4-butylcyclohexyl)ethyl]-4-[2-[4-[(E)-hept-3-enyl]phenyl]ethynyl]benzene
CID 139787998
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-(4-methylcyclohexyl)ethyl]-4-[2-[4-[(E)-oct-3-enyl]phenyl]ethynyl]benzene
CID 139787879
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
1-[(E)-hept-3-enyl]-4-[2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 139787874
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]prop-2-en-1-one
CID 59695704

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The IUPAC name of 1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene (CID 19798745) is 1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene is CCCC1CCC(CCc2ccc(CC/C=C/F)cc2)CC1.
What is the InChIKey of 1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The InChIKey is FUYLQKCIRDJBNC-HAVNEIBRSA-N. The full InChI is InChI=1S/C21H31F/c1-2-5-18-7-11-20(12-8-18)15-16-21-13-9-19(10-14-21)6-3-4-17-22/h4,9-10,13-14,17-18,20H,2-3,5-8,11-12,15-16H2,1H3/b17-4+.
What are the key properties of 1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene?
1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene has a molecular weight of 302.48 g/mol, XLogP of 6.64, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 19798745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).