4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene

C23H30F4 — CID 139779201

IUPAC4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
SMILESCCCCC1CCC(C2CC=C(c3ccc(F)c(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C23H30F4/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-22(24)21(15-20)23(25,26)27/h11,13-18H,2-10,12H2,1H3
InChIKeyQWVHCEZHAXMOFG-UHFFFAOYSA-N
MW382.49 g/mol
LogP8.02
Rot. Bonds5

About 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene

4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene (PubChem CID 139779201) has the molecular formula C23H30F4 and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
PubChem CID139779201
Molecular FormulaC23H30F4
Molecular Weight382.49 g/mol
Exact Mass382.23
IUPAC Name4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
SMILESCCCCC1CCC(C2CC=C(c3ccc(F)c(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C23H30F4/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-22(24)21(15-20)23(25,26)27/h11,13-18H,2-10,12H2,1H3
InChIKeyQWVHCEZHAXMOFG-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
CID 102396639
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethyl)benzene
CID 139779196
4-[4-(4-dodecylcyclohexyl)cyclohexen-1-yl]-2-fluoro-1-(trifluoromethyl)benzene
CID 139779202
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 601618
2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 70498877
1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 126551449
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene
CID 151155513
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene
CID 165341497
1,2,3-trifluoro-5-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 86326322
pentakis(4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]benzenethiol);pentahydrofluoride
CID 173376232
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-hexylbenzene
CID 67738933

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene (CID 139779201) is 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene is CCCCC1CCC(C2CC=C(c3ccc(F)c(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is QWVHCEZHAXMOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F4/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-22(24)21(15-20)23(25,26)27/h11,13-18H,2-10,12H2,1H3.
What are the key properties of 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene?
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene has a molecular weight of 382.49 g/mol, XLogP of 8.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 139779201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).