3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline

C21H18FN — CID 90264164

IUPAC3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline
SMILESCC1(C)c2ccccc2-c2c(-c3cc(N)cc(F)c3)cccc21
InChIInChI=1S/C21H18FN/c1-21(2)18-8-4-3-6-17(18)20-16(7-5-9-19(20)21)13-10-14(22)12-15(23)11-13/h3-12H,23H2,1-2H3
InChIKeyLDTBOVQATQALKW-UHFFFAOYSA-N
MW303.38 g/mol
LogP5.38
Rot. Bonds1

About 3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline

3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline (PubChem CID 90264164) has the molecular formula C21H18FN and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline
PubChem CID90264164
Molecular FormulaC21H18FN
Molecular Weight303.38 g/mol
Exact Mass303.14
IUPAC Name3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline
SMILESCC1(C)c2ccccc2-c2c(-c3cc(N)cc(F)c3)cccc21
InChIInChI=1S/C21H18FN/c1-21(2)18-8-4-3-6-17(18)20-16(7-5-9-19(20)21)13-10-14(22)12-15(23)11-13/h3-12H,23H2,1-2H3
InChIKeyLDTBOVQATQALKW-UHFFFAOYSA-N
XLogP5.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.38
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266614
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
9,9-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848
1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266577
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
2,5-bis(9,9-dimethylfluoren-4-yl)thiophene-3,4-diamine
CID 155467276
7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-ol
CID 118146061
3-fluoro-9,9-dimethylfluorene
CID 130217991
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 3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline?
The IUPAC name of 3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline (CID 90264164) is 3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline.
What is the SMILES notation for 3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline?
The canonical SMILES for 3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline is CC1(C)c2ccccc2-c2c(-c3cc(N)cc(F)c3)cccc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline?
The InChIKey is LDTBOVQATQALKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN/c1-21(2)18-8-4-3-6-17(18)20-16(7-5-9-19(20)21)13-10-14(22)12-15(23)11-13/h3-12H,23H2,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline?
3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline has a molecular weight of 303.38 g/mol, XLogP of 5.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-4-yl)-5-fluoroaniline is sourced from PubChem (CID 90264164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).