2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde

C12H13FO2 — CID 105461575

IUPAC2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde
SMILESO=CC(c1ccccc1F)C1CCOC1
InChIInChI=1S/C12H13FO2/c13-12-4-2-1-3-10(12)11(7-14)9-5-6-15-8-9/h1-4,7,9,11H,5-6,8H2
InChIKeyMVSCPFWSGNLYCH-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.14
Rot. Bonds3

About 2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde

2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde (PubChem CID 105461575) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde
PubChem CID105461575
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde
SMILESO=CC(c1ccccc1F)C1CCOC1
InChIInChI=1S/C12H13FO2/c13-12-4-2-1-3-10(12)11(7-14)9-5-6-15-8-9/h1-4,7,9,11H,5-6,8H2
InChIKeyMVSCPFWSGNLYCH-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
4-[1-(2-fluorophenyl)ethyl]oxane
CID 90399491
2-(2-chlorocyclopropyl)-2-(2-fluorophenyl)acetaldehyde
CID 87310690
4-[1-(2-fluorophenyl)-2-methylpropyl]oxane
CID 90383596
1-(2-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986373
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131675141
4-[3-bromo-2-(2-fluorophenyl)propyl]oxane
CID 79455156
[(2-chloro-3-fluorophenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306562
N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113243463
N-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde?
The IUPAC name of 2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde (CID 105461575) is 2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde?
The canonical SMILES for 2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde is O=CC(c1ccccc1F)C1CCOC1.
What is the InChIKey of 2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde?
The InChIKey is MVSCPFWSGNLYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-12-4-2-1-3-10(12)11(7-14)9-5-6-15-8-9/h1-4,7,9,11H,5-6,8H2.
What are the key properties of 2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde?
2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde has a molecular weight of 208.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde is sourced from PubChem (CID 105461575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).