6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran

C23H22F4O2 — CID 118583502

IUPAC6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1CC=C(c2cc3c(c(F)c2F)-c2c(cc(OCC)c(F)c2F)C3)OC1
InChIInChI=1S/C23H22F4O2/c1-3-5-12-6-7-16(29-11-12)15-9-13-8-14-10-17(28-4-2)21(25)23(27)19(14)18(13)22(26)20(15)24/h7,9-10,12H,3-6,8,11H2,1-2H3
InChIKeyHEVFVJSTIRJWCG-UHFFFAOYSA-N
MW406.42 g/mol
LogP6.39
Rot. Bonds5

About 6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran

6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran (PubChem CID 118583502) has the molecular formula C23H22F4O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran
PubChem CID118583502
Molecular FormulaC23H22F4O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Name6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1CC=C(c2cc3c(c(F)c2F)-c2c(cc(OCC)c(F)c2F)C3)OC1
InChIInChI=1S/C23H22F4O2/c1-3-5-12-6-7-16(29-11-12)15-9-13-8-14-10-17(28-4-2)21(25)23(27)19(14)18(13)22(26)20(15)24/h7,9-10,12H,3-6,8,11H2,1-2H3
InChIKeyHEVFVJSTIRJWCG-UHFFFAOYSA-N
XLogP6.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran with MolForge

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Related Compounds

3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran
CID 118586733
2-ethoxy-3,4,5-trifluoro-6-(5-propyl-1,3-dioxan-2-yl)-9H-xanthene
CID 118891138
3-[2-(7-but-3-enyl-3,4,5,6-tetrafluoro-9,10-dihydrophenanthren-2-yl)ethyl]-6-pentyl-3,4-dihydro-2H-pyran;3-[2-(7-ethoxy-1,8,9,9,10,10-hexafluorophenanthren-2-yl)ethyl]-6-pentyl-3,4-dihydro-2H-pyran;3-(7-ethoxy-3,4,5,6-tetrafluoro-9,10-dihydrophenanthren-2-yl)-6-propyl-3,4-dihydro-2H-pyran;3-[(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)oxymethyl]-6-propyl-3,4-dihydro-2H-pyran;6-pentyl-3-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran;6-pentyl-3-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran
CID 158192420
6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583672
3-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-(4-pentylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583578
6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795181
5,6,12,13,19,20-hexaethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 4918984
3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran
CID 140909255
2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene
CID 118891426
2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene
CID 69416127
2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 142297541
3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene
CID 134473076

Frequently Asked Questions

What is the IUPAC name of 6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran (CID 118583502) is 6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran is CCCC1CC=C(c2cc3c(c(F)c2F)-c2c(cc(OCC)c(F)c2F)C3)OC1.
What is the InChIKey of 6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran?
The InChIKey is HEVFVJSTIRJWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4O2/c1-3-5-12-6-7-16(29-11-12)15-9-13-8-14-10-17(28-4-2)21(25)23(27)19(14)18(13)22(26)20(15)24/h7,9-10,12H,3-6,8,11H2,1-2H3.
What are the key properties of 6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran?
6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran has a molecular weight of 406.42 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).