1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene

C20H28F4O — CID 58953172

IUPAC1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene
SMILESCCCC1CCC(CCc2ccc(OCC)c(F)c2C(F)(F)F)CC1
InChIInChI=1S/C20H28F4O/c1-3-5-14-6-8-15(9-7-14)10-11-16-12-13-17(25-4-2)19(21)18(16)20(22,23)24/h12-15H,3-11H2,1-2H3
InChIKeyGAZJDHSYWJUUFH-UHFFFAOYSA-N
MW360.44 g/mol
LogP6.78
Rot. Bonds7

About 1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene

1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene (PubChem CID 58953172) has the molecular formula C20H28F4O and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene
PubChem CID58953172
Molecular FormulaC20H28F4O
Molecular Weight360.44 g/mol
Exact Mass360.21
IUPAC Name1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene
SMILESCCCC1CCC(CCc2ccc(OCC)c(F)c2C(F)(F)F)CC1
InChIInChI=1S/C20H28F4O/c1-3-5-14-6-8-15(9-7-14)10-11-16-12-13-17(25-4-2)19(21)18(16)20(22,23)24/h12-15H,3-11H2,1-2H3
InChIKeyGAZJDHSYWJUUFH-UHFFFAOYSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2,3-difluoro-4-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)phenyl]benzene
CID 58953404
1-ethoxy-2-fluoro-4-[2-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]ethyl]-3-(trifluoromethyl)benzene
CID 58953457
1-ethoxy-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-2,3-bis(trifluoromethyl)benzene
CID 20750903
1-[2-(4-cyclobutylcyclohexyl)ethyl]-4-ethoxy-2,3-difluorobenzene
CID 118119075
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 67896108
5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane
CID 58535630
1-[2-(4-decylcyclohexyl)ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 59874056
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene
CID 154607415
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
1-[2-[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 89430825
1-butoxy-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorobenzene;2,3-difluoro-1-pentyl-4-[2-(4-propylcyclohexyl)ethyl]benzene;2,3-difluoro-1-propyl-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-ethoxy-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-ethoxy-4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorobenzene;1-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluoro-4-methoxybenzene;1-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluoro-4-pentylbenzene;1-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorobenzene
CID 157481333

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene (CID 58953172) is 1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene is CCCC1CCC(CCc2ccc(OCC)c(F)c2C(F)(F)F)CC1.
What is the InChIKey of 1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene?
The InChIKey is GAZJDHSYWJUUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F4O/c1-3-5-14-6-8-15(9-7-14)10-11-16-12-13-17(25-4-2)19(21)18(16)20(22,23)24/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene?
1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene has a molecular weight of 360.44 g/mol, XLogP of 6.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 58953172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).