1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine

C20H27F2NO — CID 87651989

IUPAC1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine
SMILESCCOc1ccc(C2CCC(/C=C/N3CCCC3)CC2)c(F)c1F
InChIInChI=1S/C20H27F2NO/c1-2-24-18-10-9-17(19(21)20(18)22)16-7-5-15(6-8-16)11-14-23-12-3-4-13-23/h9-11,14-16H,2-8,12-13H2,1H3/b14-11+
InChIKeyICWFHQGMQNVCLH-SDNWHVSQSA-N
MW335.44 g/mol
LogP5.25
Rot. Bonds5

About 1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine

1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine (PubChem CID 87651989) has the molecular formula C20H27F2NO and a molecular weight of 335.44 g/mol. Its IUPAC name is 1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine
PubChem CID87651989
Molecular FormulaC20H27F2NO
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine
SMILESCCOc1ccc(C2CCC(/C=C/N3CCCC3)CC2)c(F)c1F
InChIInChI=1S/C20H27F2NO/c1-2-24-18-10-9-17(19(21)20(18)22)16-7-5-15(6-8-16)11-14-23-12-3-4-13-23/h9-11,14-16H,2-8,12-13H2,1H3/b14-11+
InChIKeyICWFHQGMQNVCLH-SDNWHVSQSA-N
XLogP5.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 20621688
1-[2,3-difluoro-4-[4-(3-fluoroprop-1-enyl)cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 123960892
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene
CID 123762040
1-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77469245
1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 58140557
1-[2-[4-[2,3-difluoro-4-(4-prop-1-enylcyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 77470994
1-ethoxy-4-[4-[4-(4-ethylphenyl)but-1-enyl]cyclohexyl]-2,3-difluorobenzene
CID 77417121
1-ethoxy-2,3-difluoro-4-[4-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexyl]benzene
CID 118886124
5-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]-2-(4-prop-1-enylcyclohexyl)oxane
CID 91556430
1-[2,3-difluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 123727793

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine?
The IUPAC name of 1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine (CID 87651989) is 1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine?
The canonical SMILES for 1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine is CCOc1ccc(C2CCC(/C=C/N3CCCC3)CC2)c(F)c1F.
What is the InChIKey of 1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine?
The InChIKey is ICWFHQGMQNVCLH-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H27F2NO/c1-2-24-18-10-9-17(19(21)20(18)22)16-7-5-15(6-8-16)11-14-23-12-3-4-13-23/h9-11,14-16H,2-8,12-13H2,1H3/b14-11+.
What are the key properties of 1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine?
1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine has a molecular weight of 335.44 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]pyrrolidine is sourced from PubChem (CID 87651989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).