2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran

C29H32F4O2 — CID 122480098

IUPAC2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran
SMILESCCCC1CCC(C2=CCC(c3ccc4c(c3F)C(F)(F)c3c-4ccc(OCC)c3F)OC2)CC1
InChIInChI=1S/C29H32F4O2/c1-3-5-17-6-8-18(9-7-17)19-10-14-23(35-16-19)22-12-11-20-21-13-15-24(34-4-2)28(31)26(21)29(32,33)25(20)27(22)30/h10-13,15,17-18,23H,3-9,14,16H2,1-2H3
InChIKeyLDPJYNWHTAHOLJ-UHFFFAOYSA-N
MW488.57 g/mol
LogP8.48
Rot. Bonds6

About 2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran

2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran (PubChem CID 122480098) has the molecular formula C29H32F4O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is 2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran
PubChem CID122480098
Molecular FormulaC29H32F4O2
Molecular Weight488.57 g/mol
Exact Mass488.23
IUPAC Name2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran
SMILESCCCC1CCC(C2=CCC(c3ccc4c(c3F)C(F)(F)c3c-4ccc(OCC)c3F)OC2)CC1
InChIInChI=1S/C29H32F4O2/c1-3-5-17-6-8-18(9-7-17)19-10-14-23(35-16-19)22-12-11-20-21-13-15-24(34-4-2)28(31)26(21)29(32,33)25(20)27(22)30/h10-13,15,17-18,23H,3-9,14,16H2,1-2H3
InChIKeyLDPJYNWHTAHOLJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583599
2-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran
CID 122480222
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-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
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-prop-2-enoxybenzene
CID 67730219
2-[4-[4-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]methyl]cyclohexyl]-2-fluorophenyl]oxirane
CID 89124555
2-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535326
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 130261244

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran (CID 122480098) is 2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran is CCCC1CCC(C2=CCC(c3ccc4c(c3F)C(F)(F)c3c-4ccc(OCC)c3F)OC2)CC1.
What is the InChIKey of 2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran?
The InChIKey is LDPJYNWHTAHOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F4O2/c1-3-5-17-6-8-18(9-7-17)19-10-14-23(35-16-19)22-12-11-20-21-13-15-24(34-4-2)28(31)26(21)29(32,33)25(20)27(22)30/h10-13,15,17-18,23H,3-9,14,16H2,1-2H3.
What are the key properties of 2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran?
2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-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 2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 122480098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).