6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran

C25H24F4O — CID 118583544

IUPAC6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran
SMILESC=CC1=CCC(CCc2ccc3c(c2F)C(F)(F)c2c-3ccc(CCC)c2F)CO1
InChIInChI=1S/C25H24F4O/c1-3-5-16-9-12-19-20-13-10-17(8-6-15-7-11-18(4-2)30-14-15)24(27)22(20)25(28,29)21(19)23(16)26/h4,9-13,15H,2-3,5-8,14H2,1H3
InChIKeyHEMHCLVQRMBULB-UHFFFAOYSA-N
MW416.46 g/mol
LogP7.08
Rot. Bonds6

About 6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran

6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran (PubChem CID 118583544) has the molecular formula C25H24F4O and a molecular weight of 416.46 g/mol. Its IUPAC name is 6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran
PubChem CID118583544
Molecular FormulaC25H24F4O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran
SMILESC=CC1=CCC(CCc2ccc3c(c2F)C(F)(F)c2c-3ccc(CCC)c2F)CO1
InChIInChI=1S/C25H24F4O/c1-3-5-16-9-12-19-20-13-10-17(8-6-15-7-11-18(4-2)30-14-15)24(27)22(20)25(28,29)21(19)23(16)26/h4,9-13,15H,2-3,5-8,14H2,1H3
InChIKeyHEMHCLVQRMBULB-UHFFFAOYSA-N
XLogP7.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,8,9,9,10,10-hexafluoro-7-propylphenanthren-2-yl)-6-[(E)-pent-3-enyl]-3,4-dihydro-2H-pyran
CID 118583560
6-[2-(7-butoxy-1,8,9,9,10,10-hexafluorophenanthren-2-yl)ethyl]-3-pentyl-3,4-dihydro-2H-pyran
CID 118583518
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
1-[2-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-propylbenzene
CID 154607349
2-[4-[4-[4-[2-[4-(2,3-difluoro-4-propylphenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]cyclohexyl]-2,3-difluorophenyl]oxirane
CID 88894034
2-(4-but-3-enyl-2-fluorophenyl)-1,8,9,9,10,10-hexafluoro-7-propylphenanthrene
CID 88552650
5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane
CID 58535403
3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583599
2-(1,8,9,9,10,10-hexafluoro-7-propylphenanthren-2-yl)-5-[(E)-pent-3-enyl]-3,4-dihydro-2H-pyran
CID 118359142
2-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-5-(4-propylcyclohexyl)-3,6-dihydro-2H-pyran
CID 122480098
2-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohex-3-en-1-yl]methoxy]-2,3-difluorophenyl]-2,3-difluorophenyl]oxirane
CID 88857341
2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene
CID 59257313

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran (CID 118583544) is 6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran is C=CC1=CCC(CCc2ccc3c(c2F)C(F)(F)c2c-3ccc(CCC)c2F)CO1.
What is the InChIKey of 6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran?
The InChIKey is HEMHCLVQRMBULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4O/c1-3-5-16-9-12-19-20-13-10-17(8-6-15-7-11-18(4-2)30-14-15)24(27)22(20)25(28,29)21(19)23(16)26/h4,9-13,15H,2-3,5-8,14H2,1H3.
What are the key properties of 6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran?
6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran has a molecular weight of 416.46 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-[2-(1,8,9,9-tetrafluoro-7-propylfluoren-2-yl)ethyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).