3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran

C29H32F4O2 — CID 118583599

IUPAC3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran
SMILESCCCC1CCC(C2=CCC(c3ccc4c(c3F)C(F)(F)c3c-4ccc(OCC)c3F)CO2)CC1
InChIInChI=1S/C29H32F4O2/c1-3-5-17-6-8-18(9-7-17)23-14-10-19(16-35-23)20-11-12-21-22-13-15-24(34-4-2)28(31)26(22)29(32,33)25(21)27(20)30/h11-15,17-19H,3-10,16H2,1-2H3
InChIKeyUKQXWEPHUYAOGP-UHFFFAOYSA-N
MW488.57 g/mol
LogP8.48
Rot. Bonds6

About 3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran

3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran (PubChem CID 118583599) has the molecular formula C29H32F4O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is 3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran
PubChem CID118583599
Molecular FormulaC29H32F4O2
Molecular Weight488.57 g/mol
Exact Mass488.23
IUPAC Name3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran
SMILESCCCC1CCC(C2=CCC(c3ccc4c(c3F)C(F)(F)c3c-4ccc(OCC)c3F)CO2)CC1
InChIInChI=1S/C29H32F4O2/c1-3-5-17-6-8-18(9-7-17)23-14-10-19(16-35-23)20-11-12-21-22-13-15-24(34-4-2)28(31)26(22)29(32,33)25(21)27(20)30/h11-15,17-19H,3-10,16H2,1-2H3
InChIKeyUKQXWEPHUYAOGP-UHFFFAOYSA-N
XLogP8.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran with MolForge

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Related Compounds

3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118586739
2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran
CID 122480098
3-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-(4-pentylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583578
2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]-5-propyloxane
CID 58535700
1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene
CID 118312086
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932
1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 130261244
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran (CID 118583599) is 3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran is CCCC1CCC(C2=CCC(c3ccc4c(c3F)C(F)(F)c3c-4ccc(OCC)c3F)CO2)CC1.
What is the InChIKey of 3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran?
The InChIKey is UKQXWEPHUYAOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F4O2/c1-3-5-17-6-8-18(9-7-17)23-14-10-19(16-35-23)20-11-12-21-22-13-15-24(34-4-2)28(31)26(22)29(32,33)25(21)27(20)30/h11-15,17-19H,3-10,16H2,1-2H3.
What are the key properties of 3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran?
3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran has a molecular weight of 488.57 g/mol, XLogP of 8.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).