2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene

C31H16F12 — CID 59512925

IUPAC2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene
SMILESCc1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)c1cc(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)ccc1-2
InChIInChI=1S/C31H16F12/c1-15-6-9-19-21-11-8-17(14-25(21)27(23(19)12-15,30(38,39)40)31(41,42)43)16-7-10-20-18-4-2-3-5-22(18)26(24(20)13-16,28(32,33)34)29(35,36)37/h2-14H,1H3
InChIKeySXXZUXWFZOWRRZ-UHFFFAOYSA-N
MW616.45 g/mol
LogP10.44
Rot. Bonds1

About 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene

2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene (PubChem CID 59512925) has the molecular formula C31H16F12 and a molecular weight of 616.45 g/mol. Its IUPAC name is 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene.

Molecular Properties

Compound Name2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene
PubChem CID59512925
Molecular FormulaC31H16F12
Molecular Weight616.45 g/mol
Exact Mass616.11
IUPAC Name2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene
SMILESCc1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)c1cc(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)ccc1-2
InChIInChI=1S/C31H16F12/c1-15-6-9-19-21-11-8-17(14-25(21)27(23(19)12-15,30(38,39)40)31(41,42)43)16-7-10-20-18-4-2-3-5-22(18)26(24(20)13-16,28(32,33)34)29(35,36)37/h2-14H,1H3
InChIKeySXXZUXWFZOWRRZ-UHFFFAOYSA-N
XLogP10.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.45
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,9-dimethyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512862
2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene
CID 59245644
2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene
CID 88882577
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
CID 58607554
CID 58607554
2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028072
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene?
The IUPAC name of 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene (CID 59512925) is 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene.
What is the SMILES notation for 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene?
The canonical SMILES for 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene is Cc1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)c1cc(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)ccc1-2.
What is the InChIKey of 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene?
The InChIKey is SXXZUXWFZOWRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H16F12/c1-15-6-9-19-21-11-8-17(14-25(21)27(23(19)12-15,30(38,39)40)31(41,42)43)16-7-10-20-18-4-2-3-5-22(18)26(24(20)13-16,28(32,33)34)29(35,36)37/h2-14H,1H3.
What are the key properties of 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene?
2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene has a molecular weight of 616.45 g/mol, XLogP of 10.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene is sourced from PubChem (CID 59512925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).