3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene

C25H25F — CID 90264154

IUPAC3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)-c2ccccc2C3(C)C)cc1F
InChIInChI=1S/C25H25F/c1-24(2,3)22-13-11-17(15-23(22)26)16-10-12-21-19(14-16)18-8-6-7-9-20(18)25(21,4)5/h6-15H,1-5H3
InChIKeyVURRSDOPPMGNMQ-UHFFFAOYSA-N
MW344.47 g/mol
LogP7.10
Rot. Bonds1

About 3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene

3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene (PubChem CID 90264154) has the molecular formula C25H25F and a molecular weight of 344.47 g/mol. Its IUPAC name is 3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene
PubChem CID90264154
Molecular FormulaC25H25F
Molecular Weight344.47 g/mol
Exact Mass344.19
IUPAC Name3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)-c2ccccc2C3(C)C)cc1F
InChIInChI=1S/C25H25F/c1-24(2,3)22-13-11-17(15-23(22)26)16-10-12-21-19(14-16)18-8-6-7-9-20(18)25(21,4)5/h6-15H,1-5H3
InChIKeyVURRSDOPPMGNMQ-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

Analyze 3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene
CID 90264105
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
3-fluoro-9,9-dimethylfluorene
CID 130217991
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 176781171
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 176781141
N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline
CID 90264048
3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene
CID 142515722
1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene
CID 58671884
9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)phenanthrene
CID 123587872
1-tert-butyl-3,8-bis(9,9-dimethylfluoren-3-yl)-6-propan-2-ylpyrene
CID 156675157

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene?
The IUPAC name of 3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene (CID 90264154) is 3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene?
The canonical SMILES for 3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene is CC(C)(C)c1ccc(-c2ccc3c(c2)-c2ccccc2C3(C)C)cc1F.
What is the InChIKey of 3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene?
The InChIKey is VURRSDOPPMGNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F/c1-24(2,3)22-13-11-17(15-23(22)26)16-10-12-21-19(14-16)18-8-6-7-9-20(18)25(21,4)5/h6-15H,1-5H3.
What are the key properties of 3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene?
3-(4-tert-butyl-3-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-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 90264154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).