2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde

C10H8ClFO — CID 87370613

IUPAC2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde
SMILESO=CC1CC1c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H8ClFO/c11-9-4-6(1-2-10(9)12)8-3-7(8)5-13/h1-2,4-5,7-8H,3H2
InChIKeyHRYKQYUHJMAPLC-UHFFFAOYSA-N
MW198.62 g/mol
LogP2.78
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde

2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde (PubChem CID 87370613) has the molecular formula C10H8ClFO and a molecular weight of 198.62 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde
PubChem CID87370613
Molecular FormulaC10H8ClFO
Molecular Weight198.62 g/mol
Exact Mass198.02
IUPAC Name2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde
SMILESO=CC1CC1c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H8ClFO/c11-9-4-6(1-2-10(9)12)8-3-7(8)5-13/h1-2,4-5,7-8H,3H2
InChIKeyHRYKQYUHJMAPLC-UHFFFAOYSA-N
XLogP2.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.62
LogP ≤ 52.78
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-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde (CID 87370613) is 2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde is O=CC1CC1c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde?
The InChIKey is HRYKQYUHJMAPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO/c11-9-4-6(1-2-10(9)12)8-3-7(8)5-13/h1-2,4-5,7-8H,3H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde?
2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde has a molecular weight of 198.62 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 87370613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).