3-(cyclopropylmethylamino)-2-fluorobenzaldehyde

C11H12FNO — CID 146361910

IUPAC3-(cyclopropylmethylamino)-2-fluorobenzaldehyde
SMILESO=Cc1cccc(NCC2CC2)c1F
InChIInChI=1S/C11H12FNO/c12-11-9(7-14)2-1-3-10(11)13-6-8-4-5-8/h1-3,7-8,13H,4-6H2
InChIKeyRKJKJRLDYZLTFQ-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.46
Rot. Bonds4

About 3-(cyclopropylmethylamino)-2-fluorobenzaldehyde

3-(cyclopropylmethylamino)-2-fluorobenzaldehyde (PubChem CID 146361910) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-2-fluorobenzaldehyde
PubChem CID146361910
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-(cyclopropylmethylamino)-2-fluorobenzaldehyde
SMILESO=Cc1cccc(NCC2CC2)c1F
InChIInChI=1S/C11H12FNO/c12-11-9(7-14)2-1-3-10(11)13-6-8-4-5-8/h1-3,7-8,13H,4-6H2
InChIKeyRKJKJRLDYZLTFQ-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.46
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 3-(cyclopropylmethylamino)-2-fluorobenzaldehyde?
The IUPAC name of 3-(cyclopropylmethylamino)-2-fluorobenzaldehyde (CID 146361910) is 3-(cyclopropylmethylamino)-2-fluorobenzaldehyde.
What is the SMILES notation for 3-(cyclopropylmethylamino)-2-fluorobenzaldehyde?
The canonical SMILES for 3-(cyclopropylmethylamino)-2-fluorobenzaldehyde is O=Cc1cccc(NCC2CC2)c1F.
What is the InChIKey of 3-(cyclopropylmethylamino)-2-fluorobenzaldehyde?
The InChIKey is RKJKJRLDYZLTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-11-9(7-14)2-1-3-10(11)13-6-8-4-5-8/h1-3,7-8,13H,4-6H2.
What are the key properties of 3-(cyclopropylmethylamino)-2-fluorobenzaldehyde?
3-(cyclopropylmethylamino)-2-fluorobenzaldehyde has a molecular weight of 193.22 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-2-fluorobenzaldehyde is sourced from PubChem (CID 146361910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).