1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene

C27H43F — CID 151687811

IUPAC1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCCC1CCC(c2ccc(CCC3CCC(CCC)CC3)cc2F)CC1
InChIInChI=1S/C27H43F/c1-3-5-7-22-14-17-25(18-15-22)26-19-16-24(20-27(26)28)13-12-23-10-8-21(6-4-2)9-11-23/h16,19-23,25H,3-15,17-18H2,1-2H3
InChIKeyRBXKRISJWIFIIZ-UHFFFAOYSA-N
MW386.64 g/mol
LogP8.83
Rot. Bonds9

About 1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene

1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene (PubChem CID 151687811) has the molecular formula C27H43F and a molecular weight of 386.64 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
PubChem CID151687811
Molecular FormulaC27H43F
Molecular Weight386.64 g/mol
Exact Mass386.33
IUPAC Name1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCCC1CCC(c2ccc(CCC3CCC(CCC)CC3)cc2F)CC1
InChIInChI=1S/C27H43F/c1-3-5-7-22-14-17-25(18-15-22)26-19-16-24(20-27(26)28)13-12-23-10-8-21(6-4-2)9-11-23/h16,19-23,25H,3-15,17-18H2,1-2H3
InChIKeyRBXKRISJWIFIIZ-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.64
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[2-[4-(4-butylcyclohexyl)-3-fluorophenyl]ethyl]benzonitrile
CID 70412892
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethyl]-4-propylbenzene
CID 58141062
4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile
CID 70412326
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18344256
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
2-fluoro-1-[3-fluoro-4-(4-propylcyclohexyl)phenyl]-4-[4-[4-(3-methoxypropyl)cyclohexyl]butyl]benzene
CID 23297316
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 77470253
2-[4-(4-butylcyclohexyl)-3-fluorophenyl]-5-octylpyrimidine
CID 21271038
1-butyl-2,3-difluoro-4-[4-(2-fluoro-4-propylphenyl)cyclohexyl]benzene
CID 58140601
2-methyl-4-nonyl-1-(4-nonylcyclohexyl)benzene
CID 19008146

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The IUPAC name of 1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene (CID 151687811) is 1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene is CCCCC1CCC(c2ccc(CCC3CCC(CCC)CC3)cc2F)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The InChIKey is RBXKRISJWIFIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43F/c1-3-5-7-22-14-17-25(18-15-22)26-19-16-24(20-27(26)28)13-12-23-10-8-21(6-4-2)9-11-23/h16,19-23,25H,3-15,17-18H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene?
1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene has a molecular weight of 386.64 g/mol, XLogP of 8.83, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 151687811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).