2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene

C23H26F4 — CID 139708699

IUPAC2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene
SMILESCCC1CCC(C(C)Cc2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H26F4/c1-3-15-4-6-17(7-5-15)14(2)10-16-11-21(26)23(22(27)12-16)18-8-9-19(24)20(25)13-18/h8-9,11-15,17H,3-7,10H2,1-2H3
InChIKeyRNGOSVZEUDRZKW-UHFFFAOYSA-N
MW378.45 g/mol
LogP7.30
Rot. Bonds5

About 2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene

2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene (PubChem CID 139708699) has the molecular formula C23H26F4 and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene
PubChem CID139708699
Molecular FormulaC23H26F4
Molecular Weight378.45 g/mol
Exact Mass378.20
IUPAC Name2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene
SMILESCCC1CCC(C(C)Cc2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H26F4/c1-3-15-4-6-17(7-5-15)14(2)10-16-11-21(26)23(22(27)12-16)18-8-9-19(24)20(25)13-18/h8-9,11-15,17H,3-7,10H2,1-2H3
InChIKeyRNGOSVZEUDRZKW-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 67697847
2-chloro-5-[4-[2-(4-ethylcyclohexyl)propyl]-2,6-difluorophenyl]-1,3-difluorobenzene
CID 139708610
4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene
CID 139708846
4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 139708964
(3,4-difluorophenyl) 4-[2-(4-ethylcyclohexyl)propyl]-2-fluorobenzoate
CID 139708658
1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 139708986
1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 139691879
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 139708902
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene
CID 163495624

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene?
The IUPAC name of 2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene (CID 139708699) is 2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene is CCC1CCC(C(C)Cc2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene?
The InChIKey is RNGOSVZEUDRZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4/c1-3-15-4-6-17(7-5-15)14(2)10-16-11-21(26)23(22(27)12-16)18-8-9-19(24)20(25)13-18/h8-9,11-15,17H,3-7,10H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene?
2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene has a molecular weight of 378.45 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene is sourced from PubChem (CID 139708699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).