1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane

C26H44F2 — CID 139677435

IUPAC1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(/C(F)=C(\F)C2CCC(C3CCC(CCC)CC3)CC2)CC1
InChIInChI=1S/C26H44F2/c1-3-5-19-7-11-21(12-8-19)22-15-17-24(18-16-22)26(28)25(27)23-13-9-20(6-4-2)10-14-23/h19-24H,3-18H2,1-2H3/b26-25+
InChIKeyIPXIKOTWDTTZNG-OCEACIFDSA-N
MW394.63 g/mol
LogP9.16
Rot. Bonds7

About 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane

1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 139677435) has the molecular formula C26H44F2 and a molecular weight of 394.63 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane
PubChem CID139677435
Molecular FormulaC26H44F2
Molecular Weight394.63 g/mol
Exact Mass394.34
IUPAC Name1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(/C(F)=C(\F)C2CCC(C3CCC(CCC)CC3)CC2)CC1
InChIInChI=1S/C26H44F2/c1-3-5-19-7-11-21(12-8-19)22-15-17-24(18-16-22)26(28)25(27)23-13-9-20(6-4-2)10-14-23/h19-24H,3-18H2,1-2H3/b26-25+
InChIKeyIPXIKOTWDTTZNG-OCEACIFDSA-N
XLogP9.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.63
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 19695219
1-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 19695265
1-[4-[(E)-7-fluorohept-4-enyl]cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 19695289
1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 19695298
1-butyl-4-[4-[4-[(E)-7-fluorohept-3-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 19695342
1-butyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 19695385
1-ethyl-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 19695404
1-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-4-(4-heptylcyclohexyl)cyclohexane
CID 19695443
3-[4-(4-Butylcyclohexyl)cyclohexyl]-1,2,3-trifluorocyclohexa-1,4-diene
CID 19702535
1,2,3-Trifluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,4-diene
CID 19702589
1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]cyclohexane
CID 20654348
1-(Difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane
CID 21353204

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane (CID 139677435) is 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(/C(F)=C(\F)C2CCC(C3CCC(CCC)CC3)CC2)CC1.
What is the InChIKey of 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is IPXIKOTWDTTZNG-OCEACIFDSA-N. The full InChI is InChI=1S/C26H44F2/c1-3-5-19-7-11-21(12-8-19)22-15-17-24(18-16-22)26(28)25(27)23-13-9-20(6-4-2)10-14-23/h19-24H,3-18H2,1-2H3/b26-25+.
What are the key properties of 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane?
1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 394.63 g/mol, XLogP of 9.16, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 139677435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).