1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene

C25H39F — CID 139725252

IUPAC1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene
SMILESCCCCC1CCC(CCCC2CCC(c3cccc(F)c3)CC2)CC1
InChIInChI=1S/C25H39F/c1-2-3-6-20-11-13-21(14-12-20)7-4-8-22-15-17-23(18-16-22)24-9-5-10-25(26)19-24/h5,9-10,19-23H,2-4,6-8,11-18H2,1H3
InChIKeyBHFVYLUAWZJVKM-UHFFFAOYSA-N
MW358.59 g/mol
LogP8.27
Rot. Bonds8

About 1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene

1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene (PubChem CID 139725252) has the molecular formula C25H39F and a molecular weight of 358.59 g/mol. Its IUPAC name is 1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene
PubChem CID139725252
Molecular FormulaC25H39F
Molecular Weight358.59 g/mol
Exact Mass358.30
IUPAC Name1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene
SMILESCCCCC1CCC(CCCC2CCC(c3cccc(F)c3)CC2)CC1
InChIInChI=1S/C25H39F/c1-2-3-6-20-11-13-21(14-12-20)7-4-8-22-15-17-23(18-16-22)24-9-5-10-25(26)19-24/h5,9-10,19-23H,2-4,6-8,11-18H2,1H3
InChIKeyBHFVYLUAWZJVKM-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.59
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene
CID 20663504
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1-(3-fluorophenyl)-4-(4-pentylcyclohexyl)-2-phenylbenzene
CID 18647585
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
CID 139710939
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1,2,3-trifluoro-5-[4-[3-(4-pentylcyclohexyl)propyl]cyclohexyl]benzene
CID 139725203
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene?
The IUPAC name of 1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene (CID 139725252) is 1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene.
What is the SMILES notation for 1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene?
The canonical SMILES for 1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene is CCCCC1CCC(CCCC2CCC(c3cccc(F)c3)CC2)CC1.
What is the InChIKey of 1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene?
The InChIKey is BHFVYLUAWZJVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39F/c1-2-3-6-20-11-13-21(14-12-20)7-4-8-22-15-17-23(18-16-22)24-9-5-10-25(26)19-24/h5,9-10,19-23H,2-4,6-8,11-18H2,1H3.
What are the key properties of 1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene?
1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene has a molecular weight of 358.59 g/mol, XLogP of 8.27, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene is sourced from PubChem (CID 139725252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).