2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene

C23H34F2 — CID 18344256

IUPAC2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(C3CCC(CCF)CC3)CC2)c(F)c1
InChIInChI=1S/C23H34F2/c1-2-3-18-6-13-22(23(25)16-18)21-11-9-20(10-12-21)19-7-4-17(5-8-19)14-15-24/h6,13,16-17,19-21H,2-5,7-12,14-15H2,1H3
InChIKeyMYJXZDVTSOOFRE-UHFFFAOYSA-N
MW348.52 g/mol
LogP7.22
Rot. Bonds6

About 2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene

2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene (PubChem CID 18344256) has the molecular formula C23H34F2 and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
PubChem CID18344256
Molecular FormulaC23H34F2
Molecular Weight348.52 g/mol
Exact Mass348.26
IUPAC Name2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(C3CCC(CCF)CC3)CC2)c(F)c1
InChIInChI=1S/C23H34F2/c1-2-3-18-6-13-22(23(25)16-18)21-11-9-20(10-12-21)19-7-4-17(5-8-19)14-15-24/h6,13,16-17,19-21H,2-5,7-12,14-15H2,1H3
InChIKeyMYJXZDVTSOOFRE-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.52
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[4-[2-(3,4-difluorophenyl)-1,1-difluoroethyl]cyclohexyl]cyclohexyl]-2-fluoro-4-propylbenzene
CID 18344050
1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 151687811
4-(2-fluoro-4-propylphenyl)oxane
CID 153081672
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethyl]-4-propylbenzene
CID 58141062
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene
CID 160914684
4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile
CID 70412326
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
4-[2-[4-(4-butylcyclohexyl)-3-fluorophenyl]ethyl]benzonitrile
CID 70412892
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
1-butyl-2,3-difluoro-4-[4-(2-fluoro-4-propylphenyl)cyclohexyl]benzene
CID 58140601
1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 160926873

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene?
The IUPAC name of 2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene (CID 18344256) is 2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene.
What is the SMILES notation for 2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene?
The canonical SMILES for 2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene is CCCc1ccc(C2CCC(C3CCC(CCF)CC3)CC2)c(F)c1.
What is the InChIKey of 2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene?
The InChIKey is MYJXZDVTSOOFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2/c1-2-3-18-6-13-22(23(25)16-18)21-11-9-20(10-12-21)19-7-4-17(5-8-19)14-15-24/h6,13,16-17,19-21H,2-5,7-12,14-15H2,1H3.
What are the key properties of 2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene?
2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene has a molecular weight of 348.52 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene is sourced from PubChem (CID 18344256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).