2-cyclopropyl-6-fluorobenzaldehyde

C10H9FO — CID 87091239

IUPAC2-cyclopropyl-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1C1CC1
InChIInChI=1S/C10H9FO/c11-10-3-1-2-8(7-4-5-7)9(10)6-12/h1-3,6-7H,4-5H2
InChIKeyCEWIUCWQYKLAOJ-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.52
Rot. Bonds2

About 2-cyclopropyl-6-fluorobenzaldehyde

2-cyclopropyl-6-fluorobenzaldehyde (PubChem CID 87091239) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-6-fluorobenzaldehyde
PubChem CID87091239
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name2-cyclopropyl-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1C1CC1
InChIInChI=1S/C10H9FO/c11-10-3-1-2-8(7-4-5-7)9(10)6-12/h1-3,6-7H,4-5H2
InChIKeyCEWIUCWQYKLAOJ-UHFFFAOYSA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.52
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-cyclopropyl-6-fluorobenzaldehyde?
The IUPAC name of 2-cyclopropyl-6-fluorobenzaldehyde (CID 87091239) is 2-cyclopropyl-6-fluorobenzaldehyde.
What is the SMILES notation for 2-cyclopropyl-6-fluorobenzaldehyde?
The canonical SMILES for 2-cyclopropyl-6-fluorobenzaldehyde is O=Cc1c(F)cccc1C1CC1.
What is the InChIKey of 2-cyclopropyl-6-fluorobenzaldehyde?
The InChIKey is CEWIUCWQYKLAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO/c11-10-3-1-2-8(7-4-5-7)9(10)6-12/h1-3,6-7H,4-5H2.
What are the key properties of 2-cyclopropyl-6-fluorobenzaldehyde?
2-cyclopropyl-6-fluorobenzaldehyde has a molecular weight of 164.18 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluorobenzaldehyde is sourced from PubChem (CID 87091239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).