2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one

C27H14F6O3 — CID 145313593

IUPAC2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one
SMILESO=C1c2cc(O)c(-c3ccc(C(F)(F)F)cc3)cc2-c2cc(-c3ccc(C(F)(F)F)cc3)c(O)cc21
InChIInChI=1S/C27H14F6O3/c28-26(29,30)15-5-1-13(2-6-15)17-9-19-20-10-18(14-3-7-16(8-4-14)27(31,32)33)24(35)12-22(20)25(36)21(19)11-23(17)34/h1-12,34-35H
InChIKeyLXDAXHMVGGIYMA-UHFFFAOYSA-N
MW500.39 g/mol
LogP7.68
Rot. Bonds2

About 2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one

2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one (PubChem CID 145313593) has the molecular formula C27H14F6O3 and a molecular weight of 500.39 g/mol. Its IUPAC name is 2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one.

Molecular Properties

Compound Name2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one
PubChem CID145313593
Molecular FormulaC27H14F6O3
Molecular Weight500.39 g/mol
Exact Mass500.08
IUPAC Name2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one
SMILESO=C1c2cc(O)c(-c3ccc(C(F)(F)F)cc3)cc2-c2cc(-c3ccc(C(F)(F)F)cc3)c(O)cc21
InChIInChI=1S/C27H14F6O3/c28-26(29,30)15-5-1-13(2-6-15)17-9-19-20-10-18(14-3-7-16(8-4-14)27(31,32)33)24(35)12-22(20)25(36)21(19)11-23(17)34/h1-12,34-35H
InChIKeyLXDAXHMVGGIYMA-UHFFFAOYSA-N
XLogP7.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.39
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
2-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
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CID 119008086
5-hydroxy-4-[4-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 71375592
4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
CID 102084046
2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione
CID 135067467
7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 25211267
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
5-chloro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]benzamide
CID 23073720
4-(trifluoromethyl)(18F)phenol
CID 71660610
3-chloro-4-[4-(trifluoromethyl)phenyl]benzoic acid
CID 79018068
3,6-dimethyl-4-[4-(trifluoromethyl)phenyl]pyran-2-one
CID 25189233

Frequently Asked Questions

What is the IUPAC name of 2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one?
The IUPAC name of 2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one (CID 145313593) is 2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one.
What is the SMILES notation for 2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one?
The canonical SMILES for 2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one is O=C1c2cc(O)c(-c3ccc(C(F)(F)F)cc3)cc2-c2cc(-c3ccc(C(F)(F)F)cc3)c(O)cc21.
What is the InChIKey of 2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one?
The InChIKey is LXDAXHMVGGIYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14F6O3/c28-26(29,30)15-5-1-13(2-6-15)17-9-19-20-10-18(14-3-7-16(8-4-14)27(31,32)33)24(35)12-22(20)25(36)21(19)11-23(17)34/h1-12,34-35H.
What are the key properties of 2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one?
2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one has a molecular weight of 500.39 g/mol, XLogP of 7.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one is sourced from PubChem (CID 145313593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).