1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene

C28H43FO — CID 67590685

IUPAC1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene
SMILESCOCc1ccc(C2CCC(CCC3CCC(CCC=CCCF)CC3)CC2)cc1
InChIInChI=1S/C28H43FO/c1-30-22-26-15-19-28(20-16-26)27-17-13-25(14-18-27)12-11-24-9-7-23(8-10-24)6-4-2-3-5-21-29/h2-3,15-16,19-20,23-25,27H,4-14,17-18,21-22H2,1H3
InChIKeyYVYSZQWBAYBZMK-UHFFFAOYSA-N
MW414.65 g/mol
LogP8.39
Rot. Bonds11

About 1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene

1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene (PubChem CID 67590685) has the molecular formula C28H43FO and a molecular weight of 414.65 g/mol. Its IUPAC name is 1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene
PubChem CID67590685
Molecular FormulaC28H43FO
Molecular Weight414.65 g/mol
Exact Mass414.33
IUPAC Name1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene
SMILESCOCc1ccc(C2CCC(CCC3CCC(CCC=CCCF)CC3)CC2)cc1
InChIInChI=1S/C28H43FO/c1-30-22-26-15-19-28(20-16-26)27-17-13-25(14-18-27)12-11-24-9-7-23(8-10-24)6-4-2-3-5-21-29/h2-3,15-16,19-20,23-25,27H,4-14,17-18,21-22H2,1H3
InChIKeyYVYSZQWBAYBZMK-UHFFFAOYSA-N
XLogP8.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.65
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene
CID 67590712
1-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]-4-[4-(2-methoxyethyl)phenyl]benzene
CID 54002608
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
1-chloro-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-(methoxymethyl)benzene
CID 158978901
1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene
CID 54254660
1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene
CID 57159621
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene
CID 19780966
1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 23569878
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
CID 19798819
1-(4-but-3-enylcyclohexyl)-4-[4-(pent-2-enoxymethyl)phenyl]benzene
CID 54302814
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 90851884
1,2-difluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695333

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene?
The IUPAC name of 1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene (CID 67590685) is 1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene.
What is the SMILES notation for 1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene?
The canonical SMILES for 1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene is COCc1ccc(C2CCC(CCC3CCC(CCC=CCCF)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene?
The InChIKey is YVYSZQWBAYBZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43FO/c1-30-22-26-15-19-28(20-16-26)27-17-13-25(14-18-27)12-11-24-9-7-23(8-10-24)6-4-2-3-5-21-29/h2-3,15-16,19-20,23-25,27H,4-14,17-18,21-22H2,1H3.
What are the key properties of 1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene?
1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene has a molecular weight of 414.65 g/mol, XLogP of 8.39, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene is sourced from PubChem (CID 67590685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).