2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde

C10H12FNO — CID 21182088

IUPAC2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde
SMILESCNCc1ccc(F)cc1CC=O
InChIInChI=1S/C10H12FNO/c1-12-7-9-2-3-10(11)6-8(9)4-5-13/h2-3,5-6,12H,4,7H2,1H3
InChIKeyIWJIHGNKHHFLLK-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.29
Rot. Bonds4

About 2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde

2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde (PubChem CID 21182088) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde
PubChem CID21182088
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde
SMILESCNCc1ccc(F)cc1CC=O
InChIInChI=1S/C10H12FNO/c1-12-7-9-2-3-10(11)6-8(9)4-5-13/h2-3,5-6,12H,4,7H2,1H3
InChIKeyIWJIHGNKHHFLLK-UHFFFAOYSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde?
The IUPAC name of 2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde (CID 21182088) is 2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde is CNCc1ccc(F)cc1CC=O.
What is the InChIKey of 2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde?
The InChIKey is IWJIHGNKHHFLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12-7-9-2-3-10(11)6-8(9)4-5-13/h2-3,5-6,12H,4,7H2,1H3.
What are the key properties of 2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde?
2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde has a molecular weight of 181.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(methylaminomethyl)phenyl]acetaldehyde is sourced from PubChem (CID 21182088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).