5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane

C28H34F4O — CID 144909486

IUPAC5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane
SMILESCC(C)CCC(C)CCc1cc2c(c(F)c1F)-c1c(cc(C3CCC(C)OC3)c(F)c1F)C2
InChIInChI=1S/C28H34F4O/c1-15(2)5-6-16(3)7-9-18-11-20-12-21-13-22(19-10-8-17(4)33-14-19)26(30)28(32)24(21)23(20)27(31)25(18)29/h11,13,15-17,19H,5-10,12,14H2,1-4H3
InChIKeyJZDVBJKCMZBJPQ-UHFFFAOYSA-N
MW462.57 g/mol
LogP8.10
Rot. Bonds7

About 5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane

5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane (PubChem CID 144909486) has the molecular formula C28H34F4O and a molecular weight of 462.57 g/mol. Its IUPAC name is 5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane.

Molecular Properties

Compound Name5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane
PubChem CID144909486
Molecular FormulaC28H34F4O
Molecular Weight462.57 g/mol
Exact Mass462.25
IUPAC Name5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane
SMILESCC(C)CCC(C)CCc1cc2c(c(F)c1F)-c1c(cc(C3CCC(C)OC3)c(F)c1F)C2
InChIInChI=1S/C28H34F4O/c1-15(2)5-6-16(3)7-9-18-11-20-12-21-13-22(19-10-8-17(4)33-14-19)26(30)28(32)24(21)23(20)27(31)25(18)29/h11,13,15-17,19H,5-10,12,14H2,1-4H3
InChIKeyJZDVBJKCMZBJPQ-UHFFFAOYSA-N
XLogP8.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane
CID 144909549
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
2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene
CID 138511411
6-[4-[(E)-3,6-dimethyloct-1-enyl]cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 144734074
5-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]-2-methyloxane
CID 129159350
5-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2-methyloxane
CID 134478949
5-[4-[4-[4-(but-3-enoxymethyl)-2,3-difluorophenyl]phenyl]-2-fluorophenyl]-2-methyloxane
CID 89046005
5-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-2,3-difluorophenyl]-2-methyloxane
CID 129159281

Frequently Asked Questions

What is the IUPAC name of 5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane?
The IUPAC name of 5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane (CID 144909486) is 5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane.
What is the SMILES notation for 5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane?
The canonical SMILES for 5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane is CC(C)CCC(C)CCc1cc2c(c(F)c1F)-c1c(cc(C3CCC(C)OC3)c(F)c1F)C2.
What is the InChIKey of 5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane?
The InChIKey is JZDVBJKCMZBJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F4O/c1-15(2)5-6-16(3)7-9-18-11-20-12-21-13-22(19-10-8-17(4)33-14-19)26(30)28(32)24(21)23(20)27(31)25(18)29/h11,13,15-17,19H,5-10,12,14H2,1-4H3.
What are the key properties of 5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane?
5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane has a molecular weight of 462.57 g/mol, XLogP of 8.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane is sourced from PubChem (CID 144909486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).