1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene

C17H22F2O — CID 20621743

IUPAC1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
SMILESC=CC1CCC(c2ccc(OCCC)c(F)c2F)CC1
InChIInChI=1S/C17H22F2O/c1-3-11-20-15-10-9-14(16(18)17(15)19)13-7-5-12(4-2)6-8-13/h4,9-10,12-13H,2-3,5-8,11H2,1H3
InChIKeyXQFXERFIVSSRRI-UHFFFAOYSA-N
MW280.36 g/mol
LogP5.21
Rot. Bonds5

About 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene

1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene (PubChem CID 20621743) has the molecular formula C17H22F2O and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
PubChem CID20621743
Molecular FormulaC17H22F2O
Molecular Weight280.36 g/mol
Exact Mass280.16
IUPAC Name1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
SMILESC=CC1CCC(c2ccc(OCCC)c(F)c2F)CC1
InChIInChI=1S/C17H22F2O/c1-3-11-20-15-10-9-14(16(18)17(15)19)13-7-5-12(4-2)6-8-13/h4,9-10,12-13H,2-3,5-8,11H2,1H3
InChIKeyXQFXERFIVSSRRI-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.36
LogP ≤ 55.21
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-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 163533849
2-[4-[4-(2,3-difluoro-4-propoxyphenyl)cyclohexyl]cyclohexyl]-5-ethenyloxane
CID 58021450
1-[4-[4-(4-ethenylcyclohexyl)-3-fluorophenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67730403
1-cyclohexyl-2,3-difluoro-4-propoxybenzene
CID 90131075
1-butoxy-4-[4-[4-(4-ethenylcyclohexyl)but-3-enyl]cyclohexyl]-2,3-difluorobenzene
CID 58479557
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67737891
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358545
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
2,3-difluoro-1-propoxy-4-[4-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]cyclohexyl]benzene
CID 154607073
2,3-difluoro-1-propoxy-4-[4-[4-[4-(4-propylphenyl)phenyl]but-1-enyl]cyclohexyl]benzene
CID 77417265
2,3-difluoro-1-pent-4-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 69030502

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene?
The IUPAC name of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene (CID 20621743) is 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene is C=CC1CCC(c2ccc(OCCC)c(F)c2F)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene?
The InChIKey is XQFXERFIVSSRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2O/c1-3-11-20-15-10-9-14(16(18)17(15)19)13-7-5-12(4-2)6-8-13/h4,9-10,12-13H,2-3,5-8,11H2,1H3.
What are the key properties of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene?
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene has a molecular weight of 280.36 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene is sourced from PubChem (CID 20621743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).