3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene

C25H25F — CID 90264105

IUPAC3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene
SMILESCC(C)(C)c1cc(F)cc(-c2ccc3c(c2)-c2ccccc2C3(C)C)c1
InChIInChI=1S/C25H25F/c1-24(2,3)18-12-17(13-19(26)15-18)16-10-11-23-21(14-16)20-8-6-7-9-22(20)25(23,4)5/h6-15H,1-5H3
InChIKeyFWCUXTXIOQHVES-UHFFFAOYSA-N
MW344.47 g/mol
LogP7.10
Rot. Bonds1

About 3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene

3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene (PubChem CID 90264105) has the molecular formula C25H25F and a molecular weight of 344.47 g/mol. Its IUPAC name is 3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene
PubChem CID90264105
Molecular FormulaC25H25F
Molecular Weight344.47 g/mol
Exact Mass344.19
IUPAC Name3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene
SMILESCC(C)(C)c1cc(F)cc(-c2ccc3c(c2)-c2ccccc2C3(C)C)c1
InChIInChI=1S/C25H25F/c1-24(2,3)18-12-17(13-19(26)15-18)16-10-11-23-21(14-16)20-8-6-7-9-22(20)25(23,4)5/h6-15H,1-5H3
InChIKeyFWCUXTXIOQHVES-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.47
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene
CID 90264154
3-fluoro-9,9-dimethylfluorene
CID 130217991
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
CID 176871110
1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene
CID 168802983
3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene
CID 142515722
3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene
CID 145377641
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene?
The IUPAC name of 3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene (CID 90264105) is 3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene?
The canonical SMILES for 3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene is CC(C)(C)c1cc(F)cc(-c2ccc3c(c2)-c2ccccc2C3(C)C)c1.
What is the InChIKey of 3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene?
The InChIKey is FWCUXTXIOQHVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F/c1-24(2,3)18-12-17(13-19(26)15-18)16-10-11-23-21(14-16)20-8-6-7-9-22(20)25(23,4)5/h6-15H,1-5H3.
What are the key properties of 3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene?
3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene has a molecular weight of 344.47 g/mol, XLogP of 7.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 90264105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).