1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene

C18H25F3 — CID 139691879

IUPAC1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
SMILESCCCC1CCC(C(C)Cc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C18H25F3/c1-3-4-13-5-7-15(8-6-13)12(2)9-14-10-16(19)18(21)17(20)11-14/h10-13,15H,3-9H2,1-2H3
InChIKeyHVGFGVOZEQZAGS-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.89
Rot. Bonds5

About 1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene

1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene (PubChem CID 139691879) has the molecular formula C18H25F3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
PubChem CID139691879
Molecular FormulaC18H25F3
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
SMILESCCCC1CCC(C(C)Cc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C18H25F3/c1-3-4-13-5-7-15(8-6-13)12(2)9-14-10-16(19)18(21)17(20)11-14/h10-13,15H,3-9H2,1-2H3
InChIKeyHVGFGVOZEQZAGS-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.89
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

1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene
CID 139708903
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 67697847
1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139691903
1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene
CID 139711194
2-fluoro-1-[2-(4-fluorophenyl)ethynyl]-4-[2-(4-propylcyclohexyl)propyl]benzene
CID 139708613
4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene
CID 139708741
(3,4,5-trifluorophenyl) 4-[2-(4-butylcyclohexyl)propyl]-2-fluorobenzoate
CID 139708604
1,2,3-trifluoro-5-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]benzene
CID 58555509
4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761
(4-cyano-3-fluorophenyl) 2,6-difluoro-4-[2-(4-propylcyclohexyl)propyl]benzoate
CID 139708596
1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708745
4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 139708964

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene (CID 139691879) is 1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene is CCCC1CCC(C(C)Cc2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene?
The InChIKey is HVGFGVOZEQZAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3/c1-3-4-13-5-7-15(8-6-13)12(2)9-14-10-16(19)18(21)17(20)11-14/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene?
1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene has a molecular weight of 298.39 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene is sourced from PubChem (CID 139691879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).