3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde

C15H13F2NO — CID 114067025

IUPAC3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
SMILESCN(Cc1ccccc1F)c1c(F)cccc1C=O
InChIInChI=1S/C15H13F2NO/c1-18(9-11-5-2-3-7-13(11)16)15-12(10-19)6-4-8-14(15)17/h2-8,10H,9H2,1H3
InChIKeyLYRJOWQPXYZZRJ-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.41
Rot. Bonds4

About 3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde

3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde (PubChem CID 114067025) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
PubChem CID114067025
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
SMILESCN(Cc1ccccc1F)c1c(F)cccc1C=O
InChIInChI=1S/C15H13F2NO/c1-18(9-11-5-2-3-7-13(11)16)15-12(10-19)6-4-8-14(15)17/h2-8,10H,9H2,1H3
InChIKeyLYRJOWQPXYZZRJ-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromothiophen-2-yl)methyl-methylamino]-3-fluorobenzaldehyde
CID 114067058
4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412166
4-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412218
2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
CID 113387633
3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde
CID 114067171
[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 63077393
1-(2-fluorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258763
3-fluoro-2-(N,2,4-trimethylanilino)benzaldehyde
CID 114067095
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde?
The IUPAC name of 3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde (CID 114067025) is 3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde?
The canonical SMILES for 3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde is CN(Cc1ccccc1F)c1c(F)cccc1C=O.
What is the InChIKey of 3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde?
The InChIKey is LYRJOWQPXYZZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-18(9-11-5-2-3-7-13(11)16)15-12(10-19)6-4-8-14(15)17/h2-8,10H,9H2,1H3.
What are the key properties of 3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde?
3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde has a molecular weight of 261.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde is sourced from PubChem (CID 114067025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).