2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane

C17H24F2O — CID 158097848

IUPAC2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane
SMILESC.CC=CC1CCC(c2ccc(OC)c(F)c2F)CC1
InChIInChI=1S/C16H20F2O.CH4/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(19-2)16(18)15(13)17;/h3-4,9-12H,5-8H2,1-2H3;1H4
InChIKeyFOWPUXCMEMILMG-UHFFFAOYSA-N
MW282.37 g/mol
LogP5.46
Rot. Bonds3

About 2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane

2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane (PubChem CID 158097848) has the molecular formula C17H24F2O and a molecular weight of 282.37 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane
PubChem CID158097848
Molecular FormulaC17H24F2O
Molecular Weight282.37 g/mol
Exact Mass282.18
IUPAC Name2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane
SMILESC.CC=CC1CCC(c2ccc(OC)c(F)c2F)CC1
InChIInChI=1S/C16H20F2O.CH4/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(19-2)16(18)15(13)17;/h3-4,9-12H,5-8H2,1-2H3;1H4
InChIKeyFOWPUXCMEMILMG-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.37
LogP ≤ 55.46
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

2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 69087569
2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene
CID 141349611
2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 58021302
2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium)
CID 59523710
2,3-difluoro-1-[4-[3-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]phenyl]-4-methoxybenzene
CID 67730409
2,3-difluoro-1-[4-[3-fluoro-4-(4-prop-1-enylcyclohexyl)phenyl]phenyl]-4-methoxybenzene
CID 77343518
2,3-difluoro-1-methoxy-4-[4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20621725
1-(2,2-difluoroethoxy)-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 175685885
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
1-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77469245
1-butoxy-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;2,3-difluoro-1-methoxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;2,3-difluoro-1-pentoxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;2,3-difluoro-1-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]-4-propoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-heptoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-nonoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-octoxybenzene;1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 157363341
1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 160538419

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane?
The IUPAC name of 2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane (CID 158097848) is 2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane is C.CC=CC1CCC(c2ccc(OC)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane?
The InChIKey is FOWPUXCMEMILMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O.CH4/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(19-2)16(18)15(13)17;/h3-4,9-12H,5-8H2,1-2H3;1H4.
What are the key properties of 2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane?
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane has a molecular weight of 282.37 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane is sourced from PubChem (CID 158097848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).