2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde

C11H10ClFO — CID 87310690

IUPAC2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde
SMILESO=CC(c1ccccc1F)C1CC1Cl
InChIInChI=1S/C11H10ClFO/c12-10-5-8(10)9(6-14)7-3-1-2-4-11(7)13/h1-4,6,8-10H,5H2
InChIKeyCFZKIWZGSZIHBB-UHFFFAOYSA-N
MW212.65 g/mol
LogP2.74
Rot. Bonds3

About 2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde

2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde (PubChem CID 87310690) has the molecular formula C11H10ClFO and a molecular weight of 212.65 g/mol. Its IUPAC name is 2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde
PubChem CID87310690
Molecular FormulaC11H10ClFO
Molecular Weight212.65 g/mol
Exact Mass212.04
IUPAC Name2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde
SMILESO=CC(c1ccccc1F)C1CC1Cl
InChIInChI=1S/C11H10ClFO/c12-10-5-8(10)9(6-14)7-3-1-2-4-11(7)13/h1-4,6,8-10H,5H2
InChIKeyCFZKIWZGSZIHBB-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde
CID 105461575
(2R)-2-(2-fluorophenyl)-2-methoxyacetaldehyde
CID 173342966
3,3,3-trifluoro-2-(2-fluorophenyl)propanal
CID 84778914
(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal
CID 141407367
2-(2-fluorophenyl)-2-(2-hydroxyphenyl)acetaldehyde
CID 123423083
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetaldehyde
CID 123528340
3-fluoro-3-(2-fluorophenyl)propanal
CID 105434362
2-ethoxy-2-(2-fluorophenyl)acetaldehyde
CID 23169889
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine
CID 115828090
2-(3-fluoro-2-sulfanylphenyl)propanal
CID 134640182
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-ol
CID 102227876

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde?
The IUPAC name of 2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde (CID 87310690) is 2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde.
What is the SMILES notation for 2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde?
The canonical SMILES for 2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde is O=CC(c1ccccc1F)C1CC1Cl.
What is the InChIKey of 2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde?
The InChIKey is CFZKIWZGSZIHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO/c12-10-5-8(10)9(6-14)7-3-1-2-4-11(7)13/h1-4,6,8-10H,5H2.
What are the key properties of 2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde?
2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde has a molecular weight of 212.65 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde is sourced from PubChem (CID 87310690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).