1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene

C22H19F — CID 90266577

IUPAC1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
SMILESCc1cc(F)cc(-c2cccc3c2C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C22H19F/c1-14-11-15(13-16(23)12-14)17-8-6-9-19-18-7-4-5-10-20(18)22(2,3)21(17)19/h4-13H,1-3H3
InChIKeyAEBPUANSBVLXSX-UHFFFAOYSA-N
MW302.39 g/mol
LogP6.11
Rot. Bonds1

About 1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene

1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene (PubChem CID 90266577) has the molecular formula C22H19F and a molecular weight of 302.39 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
PubChem CID90266577
Molecular FormulaC22H19F
Molecular Weight302.39 g/mol
Exact Mass302.15
IUPAC Name1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
SMILESCc1cc(F)cc(-c2cccc3c2C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C22H19F/c1-14-11-15(13-16(23)12-14)17-8-6-9-19-18-7-4-5-10-20(18)22(2,3)21(17)19/h4-13H,1-3H3
InChIKeyAEBPUANSBVLXSX-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

4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266614
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
1-(4-chlorophenyl)-9,9-dimethylfluorene
CID 118193752
1-(3,5-dimethylphenyl)-9,9-diphenylfluorene
CID 159307684
6,13-bis(9,9-dimethylfluoren-1-yl)-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
CID 154591767
3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline
CID 90264164
4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline
CID 90266718
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
3-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]phenanthrene
CID 123769360
3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
CID 154972967
2-(9,9-dimethylfluoren-1-yl)-4-methylpyridine
CID 156655026
3-fluoro-9,9-dimethylfluorene
CID 130217991

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene (CID 90266577) is 1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene is Cc1cc(F)cc(-c2cccc3c2C(C)(C)c2ccccc2-3)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene?
The InChIKey is AEBPUANSBVLXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F/c1-14-11-15(13-16(23)12-14)17-8-6-9-19-18-7-4-5-10-20(18)22(2,3)21(17)19/h4-13H,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene?
1-(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 1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 90266577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).