1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene

C20H26F4O — CID 118316550

IUPAC1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCOc1ccc(CCC2CCC(/C=C(\F)CCF)CC2)c(F)c1F
InChIInChI=1S/C20H26F4O/c1-2-25-18-10-9-16(19(23)20(18)24)8-7-14-3-5-15(6-4-14)13-17(22)11-12-21/h9-10,13-15H,2-8,11-12H2,1H3/b17-13-
InChIKeyVPKIJQPXFVIQFH-LGMDPLHJSA-N
MW358.42 g/mol
LogP6.32
Rot. Bonds8

About 1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene

1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene (PubChem CID 118316550) has the molecular formula C20H26F4O and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
PubChem CID118316550
Molecular FormulaC20H26F4O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC Name1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCOc1ccc(CCC2CCC(/C=C(\F)CCF)CC2)c(F)c1F
InChIInChI=1S/C20H26F4O/c1-2-25-18-10-9-16(19(23)20(18)24)8-7-14-3-5-15(6-4-14)13-17(22)11-12-21/h9-10,13-15H,2-8,11-12H2,1H3/b17-13-
InChIKeyVPKIJQPXFVIQFH-LGMDPLHJSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2,3-difluoro-4-[2-[4-[4-[4-(3-fluoroprop-1-enyl)cyclohexyl]phenyl]cyclohexyl]ethyl]benzene
CID 123495077
1-[2-(4-cyclobutylcyclohexyl)ethyl]-4-ethoxy-2,3-difluorobenzene
CID 118119075
1-[2-[4-[2,3-difluoro-4-(4-prop-1-enylcyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 77470994
1-[2-[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 89430825
1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene
CID 67992192
1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 118320421
1-[2-(4-decylcyclohexyl)ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 59874056
1-[2,3-difluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886065
1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene
CID 58953172
5-ethenyl-2-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]oxane
CID 58535399
1-ethoxy-2-fluoro-4-[2-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]ethyl]-3-(trifluoromethyl)benzene
CID 58953457
1-ethoxy-2,3-difluoro-4-[2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]cyclohexyl]ethyl]benzene
CID 154607414

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene (CID 118316550) is 1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene is CCOc1ccc(CCC2CCC(/C=C(\F)CCF)CC2)c(F)c1F.
What is the InChIKey of 1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is VPKIJQPXFVIQFH-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H26F4O/c1-2-25-18-10-9-16(19(23)20(18)24)8-7-14-3-5-15(6-4-14)13-17(22)11-12-21/h9-10,13-15H,2-8,11-12H2,1H3/b17-13-.
What are the key properties of 1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene?
1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 358.42 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 118316550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).