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

C23H34F2 — CID 139710926

IUPAC1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene
SMILESCCC1CCC(C(C)CC2CCC(c3cc(F)cc(F)c3)CC2)CC1
InChIInChI=1S/C23H34F2/c1-3-17-4-8-19(9-5-17)16(2)12-18-6-10-20(11-7-18)21-13-22(24)15-23(25)14-21/h13-20H,3-12H2,1-2H3
InChIKeyNQNTZCPWYLYIAP-UHFFFAOYSA-N
MW348.52 g/mol
LogP7.48
Rot. Bonds5

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

1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene (PubChem CID 139710926) has the molecular formula C23H34F2 and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene
PubChem CID139710926
Molecular FormulaC23H34F2
Molecular Weight348.52 g/mol
Exact Mass348.26
IUPAC Name1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene
SMILESCCC1CCC(C(C)CC2CCC(c3cc(F)cc(F)c3)CC2)CC1
InChIInChI=1S/C23H34F2/c1-3-17-4-8-19(9-5-17)16(2)12-18-6-10-20(11-7-18)21-13-22(24)15-23(25)14-21/h13-20H,3-12H2,1-2H3
InChIKeyNQNTZCPWYLYIAP-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.52
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
CID 139710805
5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 139710881
3-(4-ethylcyclohexyl)-5-fluorobenzonitrile
CID 67710853
1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene
CID 139710818
1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
CID 139710938
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
5-[4-[2-(4-butylcyclohexyl)propyl]cyclohexyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
CID 139710874
2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 64776459
4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol
CID 165344858
1,2,3-trifluoro-5-[4-(5-methylheptan-2-yl)cyclohexyl]benzene
CID 165378015
[2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105206697
1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 139708986

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene?
The IUPAC name of 1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene (CID 139710926) is 1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene?
The canonical SMILES for 1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene is CCC1CCC(C(C)CC2CCC(c3cc(F)cc(F)c3)CC2)CC1.
What is the InChIKey of 1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene?
The InChIKey is NQNTZCPWYLYIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2/c1-3-17-4-8-19(9-5-17)16(2)12-18-6-10-20(11-7-18)21-13-22(24)15-23(25)14-21/h13-20H,3-12H2,1-2H3.
What are the key properties of 1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene?
1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene has a molecular weight of 348.52 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene is sourced from PubChem (CID 139710926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).