1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene

C18H24F2O — CID 19097910

IUPAC1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene
SMILESCOC/C=C/C1CCC(CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H24F2O/c1-21-12-2-3-14-4-6-15(7-5-14)8-9-16-10-11-17(19)18(20)13-16/h2-3,10-11,13-15H,4-9,12H2,1H3/b3-2+
InChIKeyWPHICTXDAMJCBI-NSCUHMNNSA-N
MW294.38 g/mol
LogP4.91
Rot. Bonds6

About 1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene

1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene (PubChem CID 19097910) has the molecular formula C18H24F2O and a molecular weight of 294.38 g/mol. Its IUPAC name is 1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene
PubChem CID19097910
Molecular FormulaC18H24F2O
Molecular Weight294.38 g/mol
Exact Mass294.18
IUPAC Name1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene
SMILESCOC/C=C/C1CCC(CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H24F2O/c1-21-12-2-3-14-4-6-15(7-5-14)8-9-16-10-11-17(19)18(20)13-16/h2-3,10-11,13-15H,4-9,12H2,1H3/b3-2+
InChIKeyWPHICTXDAMJCBI-NSCUHMNNSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene?
The IUPAC name of 1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene (CID 19097910) is 1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene is COC/C=C/C1CCC(CCc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene?
The InChIKey is WPHICTXDAMJCBI-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H24F2O/c1-21-12-2-3-14-4-6-15(7-5-14)8-9-16-10-11-17(19)18(20)13-16/h2-3,10-11,13-15H,4-9,12H2,1H3/b3-2+.
What are the key properties of 1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene?
1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene has a molecular weight of 294.38 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene is sourced from PubChem (CID 19097910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).