1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene

C23H34ClF — CID 139725228

IUPAC1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene
SMILESCCC1CCC(CCCC2CCC(c3ccc(Cl)c(F)c3)CC2)CC1
InChIInChI=1S/C23H34ClF/c1-2-17-6-8-18(9-7-17)4-3-5-19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21/h14-20H,2-13H2,1H3
InChIKeyLBRSRKMKBGAKEZ-UHFFFAOYSA-N
MW364.98 g/mol
LogP8.14
Rot. Bonds6

About 1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene

1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene (PubChem CID 139725228) has the molecular formula C23H34ClF and a molecular weight of 364.98 g/mol. Its IUPAC name is 1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene
PubChem CID139725228
Molecular FormulaC23H34ClF
Molecular Weight364.98 g/mol
Exact Mass364.23
IUPAC Name1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene
SMILESCCC1CCC(CCCC2CCC(c3ccc(Cl)c(F)c3)CC2)CC1
InChIInChI=1S/C23H34ClF/c1-2-17-6-8-18(9-7-17)4-3-5-19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21/h14-20H,2-13H2,1H3
InChIKeyLBRSRKMKBGAKEZ-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.98
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 22913655
CID 22913655
1-chloro-2-fluoro-4-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19094990
3-[2-[4-[4-(4-chloro-3-fluorophenyl)cyclohexyl]cyclohexyl]ethyl]dioxirane
CID 139724798
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-chloro-2-fluorobenzene
CID 139724795
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene
CID 123874382
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
2-fluoro-1-iodo-4-(4-pentylcyclohexyl)benzene
CID 59592418
2-[2-(4-chloro-3-fluorophenyl)ethynyl]-6-(4-ethylcyclohexyl)-1-fluoronaphthalene
CID 139851363
4-(4-ethylcyclohexyl)-2-fluoro-1-(3,3,3-trifluoroprop-1-ynyl)benzene
CID 59247636

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene (CID 139725228) is 1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene is CCC1CCC(CCCC2CCC(c3ccc(Cl)c(F)c3)CC2)CC1.
What is the InChIKey of 1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene?
The InChIKey is LBRSRKMKBGAKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClF/c1-2-17-6-8-18(9-7-17)4-3-5-19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21/h14-20H,2-13H2,1H3.
What are the key properties of 1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene?
1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene has a molecular weight of 364.98 g/mol, XLogP of 8.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene is sourced from PubChem (CID 139725228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).