[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene

C31H49F — CID 57319762

IUPAC[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene
SMILESCCCCC1CCC(C2CCC(CCC3CCC(C(F)c4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C31H49F/c1-2-3-7-24-12-18-27(19-13-24)28-20-14-25(15-21-28)10-11-26-16-22-30(23-17-26)31(32)29-8-5-4-6-9-29/h4-6,8-9,24-28,30-31H,2-3,7,10-23H2,1H3
InChIKeyYAPXAEAHHHRXLD-UHFFFAOYSA-N
MW440.73 g/mol
LogP10.09
Rot. Bonds9

About [[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene

[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene (PubChem CID 57319762) has the molecular formula C31H49F and a molecular weight of 440.73 g/mol. Its IUPAC name is [[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene.

Molecular Properties

Compound Name[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene
PubChem CID57319762
Molecular FormulaC31H49F
Molecular Weight440.73 g/mol
Exact Mass440.38
IUPAC Name[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene
SMILESCCCCC1CCC(C2CCC(CCC3CCC(C(F)c4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C31H49F/c1-2-3-7-24-12-18-27(19-13-24)28-20-14-25(15-21-28)10-11-26-16-22-30(23-17-26)31(32)29-8-5-4-6-9-29/h4-6,8-9,24-28,30-31H,2-3,7,10-23H2,1H3
InChIKeyYAPXAEAHHHRXLD-UHFFFAOYSA-N
XLogP10.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.73
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-butylcyclohexyl)-chloromethyl]benzene
CID 63429103
[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorobutyl]sulfanylbenzene
CID 134879724
[(1S,2R)-1,2-difluoro-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]sulfanylbenzene
CID 101049674
1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052654
[4-[4-(4-butylcyclohexyl)cyclohexyl]-1,2-difluorobutyl]sulfanylbenzene
CID 134879335
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
1-(difluoromethyl)-4-(4-heptylcyclohexyl)cyclohexane
CID 18659068
[2-(4-butylcyclohexyl)-2-chloroethyl]benzene
CID 63544761
1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 63528058
(4-butylcyclohexyl)-(3-methylphenyl)methanol
CID 114978020
[1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]butyl]sulfanylbenzene
CID 101049660
3-[4-(4-butylcyclohexyl)cyclohexyl]-6-[4-(difluoromethyl)cyclohexyl]-1-methylcyclohexene
CID 70797404

Frequently Asked Questions

What is the IUPAC name of [[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene?
The IUPAC name of [[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene (CID 57319762) is [[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene.
What is the SMILES notation for [[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene?
The canonical SMILES for [[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene is CCCCC1CCC(C2CCC(CCC3CCC(C(F)c4ccccc4)CC3)CC2)CC1.
What is the InChIKey of [[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene?
The InChIKey is YAPXAEAHHHRXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49F/c1-2-3-7-24-12-18-27(19-13-24)28-20-14-25(15-21-28)10-11-26-16-22-30(23-17-26)31(32)29-8-5-4-6-9-29/h4-6,8-9,24-28,30-31H,2-3,7,10-23H2,1H3.
What are the key properties of [[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene?
[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene has a molecular weight of 440.73 g/mol, XLogP of 10.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene is sourced from PubChem (CID 57319762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).