2-fluoro-3-propylbenzaldehyde

C10H11FO — CID 174795778

IUPAC2-fluoro-3-propylbenzaldehyde
SMILESCCCc1cccc(C=O)c1F
InChIInChI=1S/C10H11FO/c1-2-4-8-5-3-6-9(7-12)10(8)11/h3,5-7H,2,4H2,1H3
InChIKeyQVZUBPMYJVRZGS-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.59
Rot. Bonds3

About 2-fluoro-3-propylbenzaldehyde

2-fluoro-3-propylbenzaldehyde (PubChem CID 174795778) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 2-fluoro-3-propylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-3-propylbenzaldehyde
PubChem CID174795778
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name2-fluoro-3-propylbenzaldehyde
SMILESCCCc1cccc(C=O)c1F
InChIInChI=1S/C10H11FO/c1-2-4-8-5-3-6-9(7-12)10(8)11/h3,5-7H,2,4H2,1H3
InChIKeyQVZUBPMYJVRZGS-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-fluoro-3-propylbenzaldehyde?
The IUPAC name of 2-fluoro-3-propylbenzaldehyde (CID 174795778) is 2-fluoro-3-propylbenzaldehyde.
What is the SMILES notation for 2-fluoro-3-propylbenzaldehyde?
The canonical SMILES for 2-fluoro-3-propylbenzaldehyde is CCCc1cccc(C=O)c1F.
What is the InChIKey of 2-fluoro-3-propylbenzaldehyde?
The InChIKey is QVZUBPMYJVRZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-2-4-8-5-3-6-9(7-12)10(8)11/h3,5-7H,2,4H2,1H3.
What are the key properties of 2-fluoro-3-propylbenzaldehyde?
2-fluoro-3-propylbenzaldehyde has a molecular weight of 166.19 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-propylbenzaldehyde is sourced from PubChem (CID 174795778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).