1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene

C24H36F2O — CID 121336050

IUPAC1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene
SMILESC=CCCOc1ccc(C2CCC(CCCC(C)CCC)CC2)c(F)c1F
InChIInChI=1S/C24H36F2O/c1-4-6-17-27-22-16-15-21(23(25)24(22)26)20-13-11-19(12-14-20)10-7-9-18(3)8-5-2/h4,15-16,18-20H,1,5-14,17H2,2-3H3
InChIKeyQUICWOZAWQMAJQ-UHFFFAOYSA-N
MW378.55 g/mol
LogP7.80
Rot. Bonds11

About 1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene

1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene (PubChem CID 121336050) has the molecular formula C24H36F2O and a molecular weight of 378.55 g/mol. Its IUPAC name is 1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene
PubChem CID121336050
Molecular FormulaC24H36F2O
Molecular Weight378.55 g/mol
Exact Mass378.27
IUPAC Name1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene
SMILESC=CCCOc1ccc(C2CCC(CCCC(C)CCC)CC2)c(F)c1F
InChIInChI=1S/C24H36F2O/c1-4-6-17-27-22-16-15-21(23(25)24(22)26)20-13-11-19(12-14-20)10-7-9-18(3)8-5-2/h4,15-16,18-20H,1,5-14,17H2,2-3H3
InChIKeyQUICWOZAWQMAJQ-UHFFFAOYSA-N
XLogP7.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-pent-4-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 69030502
1-but-3-enoxy-4-[2,3-difluoro-4-[4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene
CID 118886202
1-butoxy-4-[4-[4-(4-ethenylcyclohexyl)but-3-enyl]cyclohexyl]-2,3-difluorobenzene
CID 58479557
2,3-difluoro-1-octoxy-4-(4-octylcyclohexyl)benzene
CID 19103732
2,3-difluoro-1-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]-4-pentoxybenzene
CID 67896005
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
CID 20621743
2-(4-butylcyclohexyl)-6-(2,3-difluoro-4-prop-2-enoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837474
1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161461439
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-but-3-enoxy-4-[(E)-2-[4-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89430679
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67738483

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene?
The IUPAC name of 1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene (CID 121336050) is 1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene.
What is the SMILES notation for 1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene?
The canonical SMILES for 1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene is C=CCCOc1ccc(C2CCC(CCCC(C)CCC)CC2)c(F)c1F.
What is the InChIKey of 1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene?
The InChIKey is QUICWOZAWQMAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2O/c1-4-6-17-27-22-16-15-21(23(25)24(22)26)20-13-11-19(12-14-20)10-7-9-18(3)8-5-2/h4,15-16,18-20H,1,5-14,17H2,2-3H3.
What are the key properties of 1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene?
1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene has a molecular weight of 378.55 g/mol, XLogP of 7.80, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene is sourced from PubChem (CID 121336050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).