4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline

C28H23F2N — CID 90266718

IUPAC4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline
SMILESCN(c1ccccc1F)c1ccc(-c2cccc3c2C(C)(C)c2ccccc2-3)cc1F
InChIInChI=1S/C28H23F2N/c1-28(2)22-12-5-4-9-20(22)21-11-8-10-19(27(21)28)18-15-16-26(24(30)17-18)31(3)25-14-7-6-13-23(25)29/h4-17H,1-3H3
InChIKeyXYBFDLOIZDKSIL-UHFFFAOYSA-N
MW411.50 g/mol
LogP7.71
Rot. Bonds3

About 4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline

4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline (PubChem CID 90266718) has the molecular formula C28H23F2N and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline
PubChem CID90266718
Molecular FormulaC28H23F2N
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline
SMILESCN(c1ccccc1F)c1ccc(-c2cccc3c2C(C)(C)c2ccccc2-3)cc1F
InChIInChI=1S/C28H23F2N/c1-28(2)22-12-5-4-9-20(22)21-11-8-10-19(27(21)28)18-15-16-26(24(30)17-18)31(3)25-14-7-6-13-23(25)29/h4-17H,1-3H3
InChIKeyXYBFDLOIZDKSIL-UHFFFAOYSA-N
XLogP7.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
CID 90266704
1-(4-chlorophenyl)-9,9-dimethylfluorene
CID 118193752
4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline
CID 163557328
N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline
CID 90264048
1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266577
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene
CID 90266642
3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
CID 154972967
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170215738
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline
CID 90266492
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline
CID 90264056

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline?
The IUPAC name of 4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline (CID 90266718) is 4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline?
The canonical SMILES for 4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline is CN(c1ccccc1F)c1ccc(-c2cccc3c2C(C)(C)c2ccccc2-3)cc1F.
What is the InChIKey of 4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline?
The InChIKey is XYBFDLOIZDKSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N/c1-28(2)22-12-5-4-9-20(22)21-11-8-10-19(27(21)28)18-15-16-26(24(30)17-18)31(3)25-14-7-6-13-23(25)29/h4-17H,1-3H3.
What are the key properties of 4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline?
4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline has a molecular weight of 411.50 g/mol, XLogP of 7.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 90266718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).