3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde

C11H14FNO — CID 174402085

IUPAC3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde
SMILESCC(c1cccc(C=O)c1F)N(C)C
InChIInChI=1S/C11H14FNO/c1-8(13(2)3)10-6-4-5-9(7-14)11(10)12/h4-8H,1-3H3
InChIKeyYKHCIMYMGJEGCN-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.26
Rot. Bonds3

About 3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde

3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde (PubChem CID 174402085) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde.

Molecular Properties

Compound Name3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde
PubChem CID174402085
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde
SMILESCC(c1cccc(C=O)c1F)N(C)C
InChIInChI=1S/C11H14FNO/c1-8(13(2)3)10-6-4-5-9(7-14)11(10)12/h4-8H,1-3H3
InChIKeyYKHCIMYMGJEGCN-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.26
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 3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde?
The IUPAC name of 3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde (CID 174402085) is 3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde.
What is the SMILES notation for 3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde?
The canonical SMILES for 3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde is CC(c1cccc(C=O)c1F)N(C)C.
What is the InChIKey of 3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde?
The InChIKey is YKHCIMYMGJEGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(13(2)3)10-6-4-5-9(7-14)11(10)12/h4-8H,1-3H3.
What are the key properties of 3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde?
3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde has a molecular weight of 195.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)ethyl]-2-fluorobenzaldehyde is sourced from PubChem (CID 174402085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).