4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene

C22H19F — CID 90266614

IUPAC4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
SMILESCc1cc(F)cc(-c2cccc3c2-c2ccccc2C3(C)C)c1
InChIInChI=1S/C22H19F/c1-14-11-15(13-16(23)12-14)17-8-6-10-20-21(17)18-7-4-5-9-19(18)22(20,2)3/h4-13H,1-3H3
InChIKeyFHEJVHAEGKTAKA-UHFFFAOYSA-N
MW302.39 g/mol
LogP6.11
Rot. Bonds1

About 4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene

4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene (PubChem CID 90266614) has the molecular formula C22H19F and a molecular weight of 302.39 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
PubChem CID90266614
Molecular FormulaC22H19F
Molecular Weight302.39 g/mol
Exact Mass302.15
IUPAC Name4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
SMILESCc1cc(F)cc(-c2cccc3c2-c2ccccc2C3(C)C)c1
InChIInChI=1S/C22H19F/c1-14-11-15(13-16(23)12-14)17-8-6-10-20-21(17)18-7-4-5-9-19(18)22(20,2)3/h4-13H,1-3H3
InChIKeyFHEJVHAEGKTAKA-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.39
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline
CID 90264164
1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266577
9,9-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene
CID 164755349
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine
CID 126543875
7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-ol
CID 118146061
ethane;4,9,9-trimethylfluorene
CID 123917181
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene?
The IUPAC name of 4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene (CID 90266614) is 4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene is Cc1cc(F)cc(-c2cccc3c2-c2ccccc2C3(C)C)c1.
What is the InChIKey of 4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene?
The InChIKey is FHEJVHAEGKTAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F/c1-14-11-15(13-16(23)12-14)17-8-6-10-20-21(17)18-7-4-5-9-19(18)22(20,2)3/h4-13H,1-3H3.
What are the key properties of 4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene?
4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene has a molecular weight of 302.39 g/mol, XLogP of 6.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 90266614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).