2-(dimethylamino)-5-fluorobenzaldehyde

C9H10FNO — CID 43312931

IUPAC2-(dimethylamino)-5-fluorobenzaldehyde
SMILESCN(C)c1ccc(F)cc1C=O
InChIInChI=1S/C9H10FNO/c1-11(2)9-4-3-8(10)5-7(9)6-12/h3-6H,1-2H3
InChIKeyNTYBTUKEJLGZCI-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.70
Rot. Bonds2

About 2-(dimethylamino)-5-fluorobenzaldehyde

2-(dimethylamino)-5-fluorobenzaldehyde (PubChem CID 43312931) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-(dimethylamino)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-5-fluorobenzaldehyde
PubChem CID43312931
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-(dimethylamino)-5-fluorobenzaldehyde
SMILESCN(C)c1ccc(F)cc1C=O
InChIInChI=1S/C9H10FNO/c1-11(2)9-4-3-8(10)5-7(9)6-12/h3-6H,1-2H3
InChIKeyNTYBTUKEJLGZCI-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.70
H-Bond Donors ≤ 50
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-(dimethylamino)-5-fluorobenzaldehyde?
The IUPAC name of 2-(dimethylamino)-5-fluorobenzaldehyde (CID 43312931) is 2-(dimethylamino)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(dimethylamino)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(dimethylamino)-5-fluorobenzaldehyde is CN(C)c1ccc(F)cc1C=O.
What is the InChIKey of 2-(dimethylamino)-5-fluorobenzaldehyde?
The InChIKey is NTYBTUKEJLGZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-11(2)9-4-3-8(10)5-7(9)6-12/h3-6H,1-2H3.
What are the key properties of 2-(dimethylamino)-5-fluorobenzaldehyde?
2-(dimethylamino)-5-fluorobenzaldehyde has a molecular weight of 167.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-fluorobenzaldehyde is sourced from PubChem (CID 43312931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).