2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde

C12H14FNO — CID 140679394

IUPAC2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde
SMILESCN1CCCC1c1cccc(F)c1C=O
InChIInChI=1S/C12H14FNO/c1-14-7-3-6-12(14)9-4-2-5-11(13)10(9)8-15/h2,4-5,8,12H,3,6-7H2,1H3
InChIKeyUOMIEEUKOFCVHG-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.40
Rot. Bonds2

About 2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde

2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde (PubChem CID 140679394) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde
PubChem CID140679394
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde
SMILESCN1CCCC1c1cccc(F)c1C=O
InChIInChI=1S/C12H14FNO/c1-14-7-3-6-12(14)9-4-2-5-11(13)10(9)8-15/h2,4-5,8,12H,3,6-7H2,1H3
InChIKeyUOMIEEUKOFCVHG-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-6-(1-methylpyrrolidin-2-yl)benzaldehyde?
The IUPAC name of 2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde (CID 140679394) is 2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde is CN1CCCC1c1cccc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde?
The InChIKey is UOMIEEUKOFCVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-14-7-3-6-12(14)9-4-2-5-11(13)10(9)8-15/h2,4-5,8,12H,3,6-7H2,1H3.
What are the key properties of 2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde?
2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde has a molecular weight of 207.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1-methylpyrrolidin-2-yl)benzaldehyde is sourced from PubChem (CID 140679394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).