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

C19H27FO — CID 19780975

IUPAC1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene
SMILESCCCOc1ccc(C2CCC(CC/C=C/F)CC2)cc1
InChIInChI=1S/C19H27FO/c1-2-15-21-19-12-10-18(11-13-19)17-8-6-16(7-9-17)5-3-4-14-20/h4,10-14,16-17H,2-3,5-9,15H2,1H3/b14-4+
InChIKeyBCQYGSKABAFMNF-LNKIKWGQSA-N
MW290.42 g/mol
LogP6.01
Rot. Bonds7

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

1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene (PubChem CID 19780975) has the molecular formula C19H27FO and a molecular weight of 290.42 g/mol. Its IUPAC name is 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene.

Molecular Properties

Compound Name1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene
PubChem CID19780975
Molecular FormulaC19H27FO
Molecular Weight290.42 g/mol
Exact Mass290.20
IUPAC Name1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene
SMILESCCCOc1ccc(C2CCC(CC/C=C/F)CC2)cc1
InChIInChI=1S/C19H27FO/c1-2-15-21-19-12-10-18(11-13-19)17-8-6-16(7-9-17)5-3-4-14-20/h4,10-14,16-17H,2-3,5-9,15H2,1H3/b14-4+
InChIKeyBCQYGSKABAFMNF-LNKIKWGQSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.42
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene with MolForge

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Related Compounds

1-[4-[2-[4-(3-fluoroprop-2-enyl)cyclohexyl]ethyl]cyclohexyl]-4-hexoxybenzene
CID 54572382
1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene
CID 57159621
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
CID 19798819
2-fluoro-1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]phenyl]-4-(6-methoxyhexoxy)benzene
CID 123452101
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene?
The IUPAC name of 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene (CID 19780975) is 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene.
What is the SMILES notation for 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene?
The canonical SMILES for 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene is CCCOc1ccc(C2CCC(CC/C=C/F)CC2)cc1.
What is the InChIKey of 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene?
The InChIKey is BCQYGSKABAFMNF-LNKIKWGQSA-N. The full InChI is InChI=1S/C19H27FO/c1-2-15-21-19-12-10-18(11-13-19)17-8-6-16(7-9-17)5-3-4-14-20/h4,10-14,16-17H,2-3,5-9,15H2,1H3/b14-4+.
What are the key properties of 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene?
1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene has a molecular weight of 290.42 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene is sourced from PubChem (CID 19780975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).