4-(azetidin-1-yl)-3-fluorobenzaldehyde

C10H10FNO — CID 130547544

IUPAC4-(azetidin-1-yl)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(N2CCC2)c(F)c1
InChIInChI=1S/C10H10FNO/c11-9-6-8(7-13)2-3-10(9)12-4-1-5-12/h2-3,6-7H,1,4-5H2
InChIKeyUUDNUFMFJKBJNQ-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.85
Rot. Bonds2

About 4-(azetidin-1-yl)-3-fluorobenzaldehyde

4-(azetidin-1-yl)-3-fluorobenzaldehyde (PubChem CID 130547544) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(azetidin-1-yl)-3-fluorobenzaldehyde
PubChem CID130547544
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-(azetidin-1-yl)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(N2CCC2)c(F)c1
InChIInChI=1S/C10H10FNO/c11-9-6-8(7-13)2-3-10(9)12-4-1-5-12/h2-3,6-7H,1,4-5H2
InChIKeyUUDNUFMFJKBJNQ-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.85
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 4-(azetidin-1-yl)-3-fluorobenzaldehyde?
The IUPAC name of 4-(azetidin-1-yl)-3-fluorobenzaldehyde (CID 130547544) is 4-(azetidin-1-yl)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(azetidin-1-yl)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(azetidin-1-yl)-3-fluorobenzaldehyde is O=Cc1ccc(N2CCC2)c(F)c1.
What is the InChIKey of 4-(azetidin-1-yl)-3-fluorobenzaldehyde?
The InChIKey is UUDNUFMFJKBJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-9-6-8(7-13)2-3-10(9)12-4-1-5-12/h2-3,6-7H,1,4-5H2.
What are the key properties of 4-(azetidin-1-yl)-3-fluorobenzaldehyde?
4-(azetidin-1-yl)-3-fluorobenzaldehyde has a molecular weight of 179.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-3-fluorobenzaldehyde is sourced from PubChem (CID 130547544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).