5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene

C18H23F3 — CID 67788915

IUPAC5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene
SMILESCCC1CC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)C1
InChIInChI=1S/C18H23F3/c1-2-11-7-14(8-11)12-3-5-13(6-4-12)15-9-16(19)18(21)17(20)10-15/h9-14H,2-8H2,1H3
InChIKeyFVMJXRMSKVVRAF-UHFFFAOYSA-N
MW296.38 g/mol
LogP5.81
Rot. Bonds3

About 5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene

5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene (PubChem CID 67788915) has the molecular formula C18H23F3 and a molecular weight of 296.38 g/mol. Its IUPAC name is 5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene
PubChem CID67788915
Molecular FormulaC18H23F3
Molecular Weight296.38 g/mol
Exact Mass296.18
IUPAC Name5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene
SMILESCCC1CC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)C1
InChIInChI=1S/C18H23F3/c1-2-11-7-14(8-11)12-3-5-13(6-4-12)15-9-16(19)18(21)17(20)10-15/h9-14H,2-8H2,1H3
InChIKeyFVMJXRMSKVVRAF-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.38
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trifluoro-5-[4-(3-heptylcyclobutyl)cyclohexyl]benzene
CID 67789259
2-heptyl-6-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867239
4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine
CID 152934815
4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol
CID 165344858
1,2,3-trifluoro-5-[4-(4-hex-2-enylcyclohexyl)cyclohexyl]benzene
CID 54188231
1,2,3-trifluoro-5-[4-[4-[(E)-hex-2-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589936
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
1,2,3-trifluoro-5-[4-[4-[(E)-oct-4-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589726
1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane
CID 134447912
1-cyclopropyl-3-ethylcyclobutane
CID 123813009
5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-[2-[2-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenyl]ethoxy]ethyl]-1,3-difluorobenzene
CID 140976229
2-[2-(4-hexylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837354

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene (CID 67788915) is 5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene is CCC1CC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)C1.
What is the InChIKey of 5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene?
The InChIKey is FVMJXRMSKVVRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3/c1-2-11-7-14(8-11)12-3-5-13(6-4-12)15-9-16(19)18(21)17(20)10-15/h9-14H,2-8H2,1H3.
What are the key properties of 5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene?
5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene has a molecular weight of 296.38 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene is sourced from PubChem (CID 67788915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).