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

C24H31F3 — CID 144764100

IUPAC5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene
SMILESC/C=C1/CCC1C1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H31F3/c1-2-15-11-12-21(15)19-9-7-17(8-10-19)16-3-5-18(6-4-16)20-13-22(25)24(27)23(26)14-20/h2,13-14,16-19,21H,3-12H2,1H3/b15-2-
InChIKeyOGCCLCVCBLECET-LXOGZNDWSA-N
MW376.51 g/mol
LogP7.54
Rot. Bonds3

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

5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene (PubChem CID 144764100) has the molecular formula C24H31F3 and a molecular weight of 376.51 g/mol. Its IUPAC name is 5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene
PubChem CID144764100
Molecular FormulaC24H31F3
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene
SMILESC/C=C1/CCC1C1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H31F3/c1-2-15-11-12-21(15)19-9-7-17(8-10-19)16-3-5-18(6-4-16)20-13-22(25)24(27)23(26)14-20/h2,13-14,16-19,21H,3-12H2,1H3/b15-2-
InChIKeyOGCCLCVCBLECET-LXOGZNDWSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.51
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene with MolForge

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Related Compounds

4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine
CID 152934815
1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane
CID 134447912
5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 67788915
5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 20625439
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
1,2,3-trifluoro-5-[4-(4-hexa-3,5-dienylcyclohexyl)cyclohexyl]benzene
CID 54186693
1,2,3-trifluoro-5-[4-[4-[(E)-oct-4-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589726
4-(3,4,5-trifluorophenyl)cyclohexane-1-carbaldehyde
CID 19039181
5-ethenyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,3-dioxane
CID 149357112
1-chloro-4-(4-cyclohexylcyclohexyl)benzene;5-(4-cyclohexylcyclohexyl)-1,2,3-trifluorobenzene
CID 144554072
8-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 58609061

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene (CID 144764100) is 5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene is C/C=C1/CCC1C1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.
What is the InChIKey of 5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene?
The InChIKey is OGCCLCVCBLECET-LXOGZNDWSA-N. The full InChI is InChI=1S/C24H31F3/c1-2-15-11-12-21(15)19-9-7-17(8-10-19)16-3-5-18(6-4-16)20-13-22(25)24(27)23(26)14-20/h2,13-14,16-19,21H,3-12H2,1H3/b15-2-.
What are the key properties of 5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene?
5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene has a molecular weight of 376.51 g/mol, XLogP of 7.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(2Z)-2-ethylidenecyclobutyl]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene is sourced from PubChem (CID 144764100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).