2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde

C9H9ClFNO — CID 170904047

IUPAC2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde
SMILESCN(C)c1cc(F)c(C=O)c(Cl)c1
InChIInChI=1S/C9H9ClFNO/c1-12(2)6-3-8(10)7(5-13)9(11)4-6/h3-5H,1-2H3
InChIKeyWHTFIFMOUOLDPR-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.36
Rot. Bonds2

About 2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde

2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde (PubChem CID 170904047) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde
PubChem CID170904047
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde
SMILESCN(C)c1cc(F)c(C=O)c(Cl)c1
InChIInChI=1S/C9H9ClFNO/c1-12(2)6-3-8(10)7(5-13)9(11)4-6/h3-5H,1-2H3
InChIKeyWHTFIFMOUOLDPR-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.36
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-chloro-4-(dimethylamino)-6-fluorobenzaldehyde?
The IUPAC name of 2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde (CID 170904047) is 2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde.
What is the SMILES notation for 2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde?
The canonical SMILES for 2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde is CN(C)c1cc(F)c(C=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde?
The InChIKey is WHTFIFMOUOLDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-12(2)6-3-8(10)7(5-13)9(11)4-6/h3-5H,1-2H3.
What are the key properties of 2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde?
2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde has a molecular weight of 201.63 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde is sourced from PubChem (CID 170904047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).