2-[(dimethylamino)methyl]-5-fluorobenzaldehyde

C10H12FNO — CID 87946053

IUPAC2-[(dimethylamino)methyl]-5-fluorobenzaldehyde
SMILESCN(C)Cc1ccc(F)cc1C=O
InChIInChI=1S/C10H12FNO/c1-12(2)6-8-3-4-10(11)5-9(8)7-13/h3-5,7H,6H2,1-2H3
InChIKeyBRZPNASTAOEQSA-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.70
Rot. Bonds3

About 2-[(dimethylamino)methyl]-5-fluorobenzaldehyde

2-[(dimethylamino)methyl]-5-fluorobenzaldehyde (PubChem CID 87946053) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5-fluorobenzaldehyde
PubChem CID87946053
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-[(dimethylamino)methyl]-5-fluorobenzaldehyde
SMILESCN(C)Cc1ccc(F)cc1C=O
InChIInChI=1S/C10H12FNO/c1-12(2)6-8-3-4-10(11)5-9(8)7-13/h3-5,7H,6H2,1-2H3
InChIKeyBRZPNASTAOEQSA-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
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)methyl]-5-fluorobenzaldehyde?
The IUPAC name of 2-[(dimethylamino)methyl]-5-fluorobenzaldehyde (CID 87946053) is 2-[(dimethylamino)methyl]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[(dimethylamino)methyl]-5-fluorobenzaldehyde is CN(C)Cc1ccc(F)cc1C=O.
What is the InChIKey of 2-[(dimethylamino)methyl]-5-fluorobenzaldehyde?
The InChIKey is BRZPNASTAOEQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12(2)6-8-3-4-10(11)5-9(8)7-13/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-5-fluorobenzaldehyde?
2-[(dimethylamino)methyl]-5-fluorobenzaldehyde has a molecular weight of 181.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5-fluorobenzaldehyde is sourced from PubChem (CID 87946053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).