2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane

C27H32F4O2 — CID 144909549

IUPAC2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane
SMILESCC(C)COC(C)CCc1cc2c(c(F)c1F)-c1c(cc(C3CCC(C)OC3)c(F)c1F)C2
InChIInChI=1S/C27H32F4O2/c1-14(2)12-32-15(3)5-7-17-9-19-10-20-11-21(18-8-6-16(4)33-13-18)25(29)27(31)23(20)22(19)26(30)24(17)28/h9,11,14-16,18H,5-8,10,12-13H2,1-4H3
InChIKeyLLUOFDJWOSNQMS-UHFFFAOYSA-N
MW464.54 g/mol
LogP7.09
Rot. Bonds7

About 2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane

2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane (PubChem CID 144909549) has the molecular formula C27H32F4O2 and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane.

Molecular Properties

Compound Name2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane
PubChem CID144909549
Molecular FormulaC27H32F4O2
Molecular Weight464.54 g/mol
Exact Mass464.23
IUPAC Name2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane
SMILESCC(C)COC(C)CCc1cc2c(c(F)c1F)-c1c(cc(C3CCC(C)OC3)c(F)c1F)C2
InChIInChI=1S/C27H32F4O2/c1-14(2)12-32-15(3)5-7-17-9-19-10-20-11-21(18-8-6-16(4)33-13-18)25(29)27(31)23(20)22(19)26(30)24(17)28/h9,11,14-16,18H,5-8,10,12-13H2,1-4H3
InChIKeyLLUOFDJWOSNQMS-UHFFFAOYSA-N
XLogP7.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane with MolForge

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Related Compounds

5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane
CID 144909486
2-cyclohexyl-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene
CID 126548736
2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane
CID 144909610
5-(2,3-difluoro-4-iodophenyl)-2-methyloxane
CID 134454496
5-[4-(2,3-difluoro-4-propylphenyl)-2-fluorophenyl]-2-methyloxane
CID 126764591
3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene
CID 144909525
5-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]-2-methyloxane
CID 129159350
2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene
CID 138511411
5-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-2,3-difluorophenyl]-2-methyloxane
CID 129159281
6-(4-butan-2-yloxy-3-methylbutyl)-2-but-3-enyl-3,4,5-trifluoro-9H-xanthene
CID 144734061
6-[(E)-4-butan-2-yloxy-3-methylbut-1-enyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 144733973
6-ethoxy-3,4,5-trifluoro-2-[6-[2-(4-propylcyclohexyl)ethyl]oxan-3-yl]-9H-xanthene
CID 118891203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane?
The IUPAC name of 2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane (CID 144909549) is 2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane.
What is the SMILES notation for 2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane?
The canonical SMILES for 2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane is CC(C)COC(C)CCc1cc2c(c(F)c1F)-c1c(cc(C3CCC(C)OC3)c(F)c1F)C2.
What is the InChIKey of 2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane?
The InChIKey is LLUOFDJWOSNQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F4O2/c1-14(2)12-32-15(3)5-7-17-9-19-10-20-11-21(18-8-6-16(4)33-13-18)25(29)27(31)23(20)22(19)26(30)24(17)28/h9,11,14-16,18H,5-8,10,12-13H2,1-4H3.
What are the key properties of 2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane?
2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane has a molecular weight of 464.54 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane is sourced from PubChem (CID 144909549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).