2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene

C22H19F — CID 90266642

IUPAC2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene
SMILESCc1c(F)cccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C22H19F/c1-14-16(8-6-10-21(14)23)15-11-12-18-17-7-4-5-9-19(17)22(2,3)20(18)13-15/h4-13H,1-3H3
InChIKeyKMBHOGJNIAEXPN-UHFFFAOYSA-N
MW302.39 g/mol
LogP6.11
Rot. Bonds1

About 2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene

2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene (PubChem CID 90266642) has the molecular formula C22H19F and a molecular weight of 302.39 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene
PubChem CID90266642
Molecular FormulaC22H19F
Molecular Weight302.39 g/mol
Exact Mass302.15
IUPAC Name2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene
SMILESCc1c(F)cccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C22H19F/c1-14-16(8-6-10-21(14)23)15-11-12-18-17-7-4-5-9-19(17)22(2,3)20(18)13-15/h4-13H,1-3H3
InChIKeyKMBHOGJNIAEXPN-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

9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
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
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
2-(2-ethynylphenyl)-9,9-dimethylfluorene
CID 153288294
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine
CID 139516717
9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane
CID 144583357
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene?
The IUPAC name of 2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene (CID 90266642) is 2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene is Cc1c(F)cccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene?
The InChIKey is KMBHOGJNIAEXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F/c1-14-16(8-6-10-21(14)23)15-11-12-18-17-7-4-5-9-19(17)22(2,3)20(18)13-15/h4-13H,1-3H3.
What are the key properties of 2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene?
2-(3-fluoro-2-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 2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 90266642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).