1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C23H35F — CID 14693031

IUPAC1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(CC)c(F)c3)CC2)CC1
InChIInChI=1S/C23H35F/c1-3-5-17-6-8-19(9-7-17)20-11-13-21(14-12-20)22-15-10-18(4-2)23(24)16-22/h10,15-17,19-21H,3-9,11-14H2,1-2H3
InChIKeyONTYAXHEOIHPMZ-UHFFFAOYSA-N
MW330.53 g/mol
LogP7.27
Rot. Bonds5

About 1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 14693031) has the molecular formula C23H35F and a molecular weight of 330.53 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID14693031
Molecular FormulaC23H35F
Molecular Weight330.53 g/mol
Exact Mass330.27
IUPAC Name1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(CC)c(F)c3)CC2)CC1
InChIInChI=1S/C23H35F/c1-3-5-17-6-8-19(9-7-17)20-11-13-21(14-12-20)22-15-10-18(4-2)23(24)16-22/h10,15-17,19-21H,3-9,11-14H2,1-2H3
InChIKeyONTYAXHEOIHPMZ-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.53
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-fluoro-1-[2-[2-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethoxy]ethyl]-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 140976227
2-(3-fluoro-4-propylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837027
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene
CID 88993446
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen
CID 159397311
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867569

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 14693031) is 1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3ccc(CC)c(F)c3)CC2)CC1.
What is the InChIKey of 1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is ONTYAXHEOIHPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35F/c1-3-5-17-6-8-19(9-7-17)20-11-13-21(14-12-20)22-15-10-18(4-2)23(24)16-22/h10,15-17,19-21H,3-9,11-14H2,1-2H3.
What are the key properties of 1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 330.53 g/mol, XLogP of 7.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 14693031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).