3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol

C27H16F6O5 — CID 145313600

IUPAC3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol
SMILESOc1cc2c(cc1-c1ccc(OC(F)(F)F)cc1)-c1cc(-c3ccc(OC(F)(F)F)cc3)c(O)cc1C2O
InChIInChI=1S/C27H16F6O5/c28-26(29,30)37-15-5-1-13(2-6-15)17-9-19-20-10-18(14-3-7-16(8-4-14)38-27(31,32)33)24(35)12-22(20)25(36)21(19)11-23(17)34/h1-12,25,34-36H
InChIKeyHYARTHBLHKJRME-UHFFFAOYSA-N
MW534.41 g/mol
LogP7.29
Rot. Bonds4

About 3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol

3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol (PubChem CID 145313600) has the molecular formula C27H16F6O5 and a molecular weight of 534.41 g/mol. Its IUPAC name is 3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol.

Molecular Properties

Compound Name3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol
PubChem CID145313600
Molecular FormulaC27H16F6O5
Molecular Weight534.41 g/mol
Exact Mass534.09
IUPAC Name3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol
SMILESOc1cc2c(cc1-c1ccc(OC(F)(F)F)cc1)-c1cc(-c3ccc(OC(F)(F)F)cc3)c(O)cc1C2O
InChIInChI=1S/C27H16F6O5/c28-26(29,30)37-15-5-1-13(2-6-15)17-9-19-20-10-18(14-3-7-16(8-4-14)38-27(31,32)33)24(35)12-22(20)25(36)21(19)11-23(17)34/h1-12,25,34-36H
InChIKeyHYARTHBLHKJRME-UHFFFAOYSA-N
XLogP7.29
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.41
LogP ≤ 57.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 165416807
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
5-hydroxy-3,7-bis[4-(trifluoromethoxy)phenyl]pyrano[3,2-g]chromene-4,6-dione
CID 127050507
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118846484
[2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 118807199

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol?
The IUPAC name of 3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol (CID 145313600) is 3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol.
What is the SMILES notation for 3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol?
The canonical SMILES for 3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol is Oc1cc2c(cc1-c1ccc(OC(F)(F)F)cc1)-c1cc(-c3ccc(OC(F)(F)F)cc3)c(O)cc1C2O.
What is the InChIKey of 3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol?
The InChIKey is HYARTHBLHKJRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F6O5/c28-26(29,30)37-15-5-1-13(2-6-15)17-9-19-20-10-18(14-3-7-16(8-4-14)38-27(31,32)33)24(35)12-22(20)25(36)21(19)11-23(17)34/h1-12,25,34-36H.
What are the key properties of 3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol?
3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol has a molecular weight of 534.41 g/mol, XLogP of 7.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol is sourced from PubChem (CID 145313600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).