1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene

C27H37F — CID 172817862

IUPAC1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2ccc(CCC3CCC(CC)CC3)c(F)c2)cc1
InChIInChI=1S/C27H37F/c1-3-5-22-10-12-23(13-11-22)14-15-25-17-19-26(27(28)20-25)18-16-24-8-6-21(4-2)7-9-24/h10-13,17,19-21,24H,3-9,14-16,18H2,1-2H3
InChIKeyTUVTWMQAJRIHCF-UHFFFAOYSA-N
MW380.59 g/mol
LogP7.71
Rot. Bonds9

About 1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene

1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 172817862) has the molecular formula C27H37F and a molecular weight of 380.59 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
PubChem CID172817862
Molecular FormulaC27H37F
Molecular Weight380.59 g/mol
Exact Mass380.29
IUPAC Name1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2ccc(CCC3CCC(CC)CC3)c(F)c2)cc1
InChIInChI=1S/C27H37F/c1-3-5-22-10-12-23(13-11-22)14-15-25-17-19-26(27(28)20-25)18-16-24-8-6-21(4-2)7-9-24/h10-13,17,19-21,24H,3-9,14-16,18H2,1-2H3
InChIKeyTUVTWMQAJRIHCF-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.59
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene
CID 19987957
1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610847
4-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-hexylbenzene
CID 19987960
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene
CID 19988165
2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21265276
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
CID 139608148
2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene
CID 140976267
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
CID 139872664
6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
CID 139861143

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene (CID 172817862) is 1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene is CCCc1ccc(CCc2ccc(CCC3CCC(CC)CC3)c(F)c2)cc1.
What is the InChIKey of 1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is TUVTWMQAJRIHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37F/c1-3-5-22-10-12-23(13-11-22)14-15-25-17-19-26(27(28)20-25)18-16-24-8-6-21(4-2)7-9-24/h10-13,17,19-21,24H,3-9,14-16,18H2,1-2H3.
What are the key properties of 1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene?
1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 380.59 g/mol, XLogP of 7.71, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 172817862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).