2-benzyl-9-(trifluoromethyl)fluoren-9-ol

C21H15F3O — CID 59493042

IUPAC2-benzyl-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(Cc3ccccc3)cc21
InChIInChI=1S/C21H15F3O/c22-21(23,24)20(25)18-9-5-4-8-16(18)17-11-10-15(13-19(17)20)12-14-6-2-1-3-7-14/h1-11,13,25H,12H2
InChIKeyRDNPVWAUFBUPRC-UHFFFAOYSA-N
MW340.34 g/mol
LogP5.06
Rot. Bonds2

About 2-benzyl-9-(trifluoromethyl)fluoren-9-ol

2-benzyl-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493042) has the molecular formula C21H15F3O and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-benzyl-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-benzyl-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493042
Molecular FormulaC21H15F3O
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name2-benzyl-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(Cc3ccccc3)cc21
InChIInChI=1S/C21H15F3O/c22-21(23,24)20(25)18-9-5-4-8-16(18)17-11-10-15(13-19(17)20)12-14-6-2-1-3-7-14/h1-11,13,25H,12H2
InChIKeyRDNPVWAUFBUPRC-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.34
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9-Hydroxy-9-methylfluorene
CID 95933
[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phenyl](diphenyl)methanol
CID 16218249
9-(2-Methylphenyl)-9h-fluoren-9-ol
CID 291942
2-Phenyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493041
9-Phenyl-9-fluorenol
CID 141227
alpha-[4-(Trifluoromethyl)phenyl]benzhydryl alcohol
CID 569997
6H-Cyclopenta(def)chrysen-6-ol
CID 119026
4-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492489
2-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492925
2-Methyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493168
4-Methyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493210
9-(Trifluoromethyl)-9H-fluoren-9-ol
CID 2760747

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-benzyl-9-(trifluoromethyl)fluoren-9-ol (CID 59493042) is 2-benzyl-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-benzyl-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-benzyl-9-(trifluoromethyl)fluoren-9-ol is OC1(C(F)(F)F)c2ccccc2-c2ccc(Cc3ccccc3)cc21.
What is the InChIKey of 2-benzyl-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is RDNPVWAUFBUPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O/c22-21(23,24)20(25)18-9-5-4-8-16(18)17-11-10-15(13-19(17)20)12-14-6-2-1-3-7-14/h1-11,13,25H,12H2.
What are the key properties of 2-benzyl-9-(trifluoromethyl)fluoren-9-ol?
2-benzyl-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 340.34 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).