2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol

C21H16FNO — CID 171781133

IUPAC2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol
SMILESCc1cc(F)cc(/C=N/c2cccc3c2Cc2ccccc2-3)c1O
InChIInChI=1S/C21H16FNO/c1-13-9-16(22)10-15(21(13)24)12-23-20-8-4-7-18-17-6-3-2-5-14(17)11-19(18)20/h2-10,12,24H,11H2,1H3/b23-12+
InChIKeyHUPKHNBHUGEXSQ-FSJBWODESA-N
MW317.36 g/mol
LogP5.16
Rot. Bonds2

About 2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol

2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol (PubChem CID 171781133) has the molecular formula C21H16FNO and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol.

Molecular Properties

Compound Name2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol
PubChem CID171781133
Molecular FormulaC21H16FNO
Molecular Weight317.36 g/mol
Exact Mass317.12
IUPAC Name2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol
SMILESCc1cc(F)cc(/C=N/c2cccc3c2Cc2ccccc2-3)c1O
InChIInChI=1S/C21H16FNO/c1-13-9-16(22)10-15(21(13)24)12-23-20-8-4-7-18-17-6-3-2-5-14(17)11-19(18)20/h2-10,12,24H,11H2,1H3/b23-12+
InChIKeyHUPKHNBHUGEXSQ-FSJBWODESA-N
XLogP5.16
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.36
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(9H-fluoren-1-yl)-1-phenylethanimine
CID 143688268
2,6-dimethylbenzene-1,4-diol;9H-fluorene
CID 162146644
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9H-fluoren-1-ol;prop-1-ene
CID 159607408
1-isocyanato-9H-fluorene;prop-1-ene
CID 159295729
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 23015876
2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol
CID 135596048
2-[(4-fluoro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135596113
methyl 4-hydroxy-3,5-bis[(2-hydroxyphenyl)iminomethyl]benzoate
CID 136845916

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol?
The IUPAC name of 2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol (CID 171781133) is 2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol.
What is the SMILES notation for 2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol?
The canonical SMILES for 2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol is Cc1cc(F)cc(/C=N/c2cccc3c2Cc2ccccc2-3)c1O.
What is the InChIKey of 2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol?
The InChIKey is HUPKHNBHUGEXSQ-FSJBWODESA-N. The full InChI is InChI=1S/C21H16FNO/c1-13-9-16(22)10-15(21(13)24)12-23-20-8-4-7-18-17-6-3-2-5-14(17)11-19(18)20/h2-10,12,24H,11H2,1H3/b23-12+.
What are the key properties of 2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol?
2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol has a molecular weight of 317.36 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yliminomethyl)-4-fluoro-6-methylphenol is sourced from PubChem (CID 171781133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).